Cas no 59468-32-5 (3H-1,4-Benzodiazepin-2-amine, 7-ethyl-5-(2-fluorophenyl)-N-methyl-)
59468-32-5 structure
Product Name:3H-1,4-Benzodiazepin-2-amine, 7-ethyl-5-(2-fluorophenyl)-N-methyl-
CAS No:59468-32-5
MF:C18H18FN3
MW:295.354027271271
CID:338593
PubChem ID:135721031
Update Time:2025-04-19
3H-1,4-Benzodiazepin-2-amine, 7-ethyl-5-(2-fluorophenyl)-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-1,4-Benzodiazepin-2-amine, 7-ethyl-5-(2-fluorophenyl)-N-methyl-
- 7-ethyl-5-(2-fluorophenyl)-N-methyl-3H-1,4-benzodiazepin-2-amine
- DTXSID80516755
- 59468-32-5
- SCHEMBL7312587
-
- Inchi： 1S/C18H18FN3/c1-3-12-8-9-16-14(10-12)18(21-11-17(20-2)22-16)13-6-4-5-7-15(13)19/h4-10H,3,11H2,1-2H3,(H,20,22)
- InChI Key： MRPLGXTWKFSCKZ-UHFFFAOYSA-N
- SMILES： FC1C=CC=CC=1C1C2C=C(C=CC=2N/C(/CN=1)=N/C)CC
Computed Properties
- Exact Mass: 295.14864
- Monoisotopic Mass: 295.14847575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 446
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 36.8?2
Experimental Properties
- PSA: 36.75
3H-1,4-Benzodiazepin-2-amine, 7-ethyl-5-(2-fluorophenyl)-N-methyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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