Cas no 89647-49-4 (1H-1,5-Benzodiazepine-1-carboxamide, 2,3,4,5-tetrahydro-4-oxo-)
89647-49-4 structure
Product Name:1H-1,5-Benzodiazepine-1-carboxamide, 2,3,4,5-tetrahydro-4-oxo-
CAS No:89647-49-4
MF:C10H11N3O2
MW:205.213241815567
CID:593546
PubChem ID:1237783
Update Time:2025-04-19
1H-1,5-Benzodiazepine-1-carboxamide, 2,3,4,5-tetrahydro-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,5-Benzodiazepine-1-carboxamide, 2,3,4,5-tetrahydro-4-oxo-
- 2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
- HMS1547I05
- TimTec1_004757
- AKOS024288087
- EU-0085725
- SR-01000528617-1
- Oprea1_769603
- DTXSID50361259
- SR-01000528617
- SCHEMBL1520666
- 89647-49-4
-
- Inchi： 1S/C10H11N3O2/c11-10(15)13-6-5-9(14)12-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H2,11,15)(H,12,14)
- InChI Key： RAYFBXYWMGXLBR-UHFFFAOYSA-N
- SMILES： O=C1CCN(C(N)=O)C2C=CC=CC=2N1
Computed Properties
- Exact Mass: 205.085126602g/mol
- Monoisotopic Mass: 205.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 280
- 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: -0.4
- Topological Polar Surface Area: 75.4?2
1H-1,5-Benzodiazepine-1-carboxamide, 2,3,4,5-tetrahydro-4-oxo- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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