Basic information
- Standard SMILES
ClCC=NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1- InChIKey
CEWMGBYXYSMDCD-UHFFFAOYSA-N- Molecular formula
- C17H13Cl3N4
- Average molar mass
- 379.7 g/mol
- Monoisotopic mass
- 378.02058
Names & identifiers
- Preferred name
- 7-chloro-2-[(2-chloroethylidene)hydrazino]-5-(o-chlorophenyl)-3H-1,4-benzodiazepine
- IUPAC
- 7-chloro-N-(2-chloroethylideneamino)-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-amine
Names & synonyms
SCHEMBL11747429CEWMGBYXYSMDCD-UHFFFAOYSA-N7-chloro-2-[(2-chloroethylidene)hydrazino]-5-(o-chlorophenyl)-3H-1,4-benzodiazepine
Database identifiers
- PubChem CID
- 53717465
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
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