Basic information
- Standard SMILES
O=C1CN=C(C=Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1- InChIKey
ZHDPKUJPNHETFF-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N2O
- Average molar mass
- 331.2 g/mol
Names & identifiers
- Preferred name
- (E)-5-(3,4-dichlorostyryl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 5-[2-(3,4-dichlorophenyl)ethenyl]-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL6777088ZHDPKUJPNHETFF-UHFFFAOYSA-N(E)-5-(3,4-dichlorostyryl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 69892950
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Compound notes
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