Basic information
- CAS
36985-34-9- Standard SMILES
NC1=Nc2ccc(Br)cc2N(c2ccccc2)C(=O)C1- InChIKey
ZQMKOOCHXJRCFG-UHFFFAOYSA-N- Molecular formula
- C15H12BrN3O
- Average molar mass
- 330.18 g/mol
- Monoisotopic mass
- 329.01637
Names & identifiers
- Preferred name
- 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-amino-8-bromo-1-phenyl-
- IUPAC
- 4-amino-8-bromo-1-phenyl-3H-1,5-benzodiazepin-2-one
- English name
- 4-Amino-8-bromo-1,3-dihydro-1-phenyl-2H-1,5-benzodiazepin-2-one
- Molecular formula
- C15H12BrN3O
- Molecular weight
- 330.18
Names & synonyms
BRN 088942936985-34-92H-1,5-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-4-AMINO-8-BROMO-1-PHENYL-DTXSID601904764-Amino-8-bromo-1-phenyl-2H-1,3-dihydro-(1,5)-benzodiazepin-2-one5-25-15-00094 (Beilstein Handbook Reference)RefChem:268064DTXCID701129674-amino-8-bromo-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one4-Amino-8-bromo-1,3-dihydro-1-phenyl-2H-1,5-benzodiazepin-2-one2H-1,5-Benzodiazepin-2-one, 4-amino-8-bromo-1,3-dihydro-1-phenyl-
Database identifiers
- CAS
36985-34-9- PubChem CID
- 37597
- DTXSID
DTXSID60190476- Nikkaji
- J41.266J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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