Basic information
- Standard SMILES
CN(C)C=C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O- InChIKey
TVCAWAUYNBFJEE-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O
- Average molar mass
- 360.2 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-5-(2'-chloro-phenyl)-1,3-dihydro-3-(dimethylaminomethylene)-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-5-(2-chlorophenyl)-3-(dimethylaminomethylidene)-1H-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL11769606TVCAWAUYNBFJEE-UHFFFAOYSA-N7-chloro-5-(2'-chloro-phenyl)-1,3-dihydro-3-(dimethylamino-methylene)-2H-1,4-benzodiazepin-2-one7-Chloro-5-(2'-chloro-phenyl)-1,3-dihydro-3-(dimethylaminomethylene)-2H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 136353533
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 546
Related reactions
4 records
Compound notes
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