Cas no 5807-13-6 ((2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide)
5807-13-6 structure
Product Name:(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CAS No:5807-13-6
MF:C8H4N6O4
MW:248.155159950256
CID:948004
PubChem ID:5354910
Update Time:2025-04-19
(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- (2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
- 1,3,6,8-tetrahydro-2,4,5,7-pyrimido< 5,4-g> pteridinetetrone
- 1H,8H-Pteridin-2,7-dion
- 1H,8H-pteridine-2,7-dione
- 1H,9H-Pyrimido[5,4-g]pteridin-2,4,6,8-tetraon
- 1H,9H-pyrimido[5,4-g]pteridine-2,4,6,8-tetraone
- 2,7(1H,8H)-Pteridinedione
- AC1LC8FM
- CTK1I1456
- pyrimido< 5,4-g> pteridinetetrone
- 1H,2H,3H,4H,6H,7H,8H,9H-PYRIMIDO[5,4-G]PTERIDINE-2,4,6,8-TETRONE
- DTXSID40973643
- NSC-22481
- 1,9-dihydropyrimido[5,4-g]pteridine-2,4,6,8-tetrone
- 5807-13-6
- NSC22481
- Pyrimido[5,4-g]pteridine-2,4,6,8-tetrol
-
- Inchi: 1S/C8H4N6O4/c15-5-1-3(11-7(17)13-5)10-4-2(9-1)6(16)14-8(18)12-4/h(H4,10,11,12,13,14,15,16,17,18)
- InChI Key: SVDLRKRVMBVGHQ-UHFFFAOYSA-N
- SMILES: O=C1C2C(NC(N1)=O)=NC1=C(C(NC(N1)=O)=O)N=2
Computed Properties
- Exact Mass: 487.03381
- Monoisotopic Mass: 248.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 425
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 142A^2
- XLogP3: -1.8
Experimental Properties
- Density: 1.46
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.621
- PSA: 71
(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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