Cas no 13164-87-9 ()
structure
Product Name:
CAS No:13164-87-9
MF:C17H20N4O5
MW:360.364503860474
CID:6770140
PubChem ID:281820
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C17H20N4O5/c1-7-11(20-3-4-20)14(23)10-8(6-26-16(18)24)17(25-2)15-9(19-15)5-21(17)12(10)13(7)22/h8-9,15,19H,3-6H2,1-2H3,(H2,18,24)
- InChI Key： FKJOSOXAGBHNJN-UHFFFAOYSA-N
- SMILES： O(C)C12C(COC(N)=O)C3C(C(=C(C)C(C=3N1CC1C2N1)=O)N1CC1)=O
Computed Properties
- Exact Mass: 360.14336975g/mol
- Monoisotopic Mass: 360.14336975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 829
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 124?2
Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolequinones Mitomycins, mitosane and mitosene derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Mitomycins, mitosane and mitosene derivatives
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