Basic information
- Standard SMILES
CC(=O)C=Cc1ncn2c1CN(C)C(=O)c1c(Cl)cccc1-2- InChIKey
CXMLCGCPOKTHHX-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O2
- Average molar mass
- 315.75 g/mol
Names & identifiers
- Preferred name
- 7-chloro-5-methyl-3-(3-oxobut-1-enyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
- IUPAC
- 7-chloro-5-methyl-3-(3-oxobut-1-enyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL9669593
Database identifiers
- PubChem CID
- 53745406
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
Loading…