Basic information
- CAS
36985-40-7- Standard SMILES
NC1=Nc2ccc([N+](=O)[O-])cc2N(c2ccccc2)C(=O)C1- InChIKey
MBSVPZTUXNRICW-UHFFFAOYSA-N- Molecular formula
- C15H12N4O3
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.09094026
Names & identifiers
- Preferred name
- H92Gfg85YE
- IUPAC
- 4-amino-8-nitro-1-phenyl-3H-1,5-benzodiazepin-2-one
Names & synonyms
CP-1414SH92GFG85YEUNII-H92GFG85YE36985-40-74-Amino-1,3-dihydro-8-nitro-1-phenyl-2H-1,5-benzodiazepin-2-one2H-1,5-Benzodiazepin-2-one, 4-amino-1,3-dihydro-8-nitro-1-phenyl-SCHEMBL29588872Q5013568
Database identifiers
- CAS
36985-40-7- PubChem CID
- 37594
- UNII
- H92GFG85YE
- Nikkaji
- J315.603F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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