Basic information
- Standard SMILES
C=CCC(=NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1)C(=O)O- InChIKey
UCNVPUAHONWYBN-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N4O2
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 414.0650312
Names & identifiers
- Preferred name
- 7-chloro-2-[(1-carboxy-3-butenylidene)hydrazino]-5-(o-chlorophenyl)-3H-1,4-benzodiazepine
- IUPAC
- 2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]pent-4-enoic acid
Names & synonyms
SCHEMBL11716351UCNVPUAHONWYBN-UHFFFAOYSA-N7-chloro-2-[(1-carboxy-3-butenylidene)hydrazino]-5-(o-chlorophenyl)-3H-1,4-benzodiazepine7-chloro-2-[(1-carboxy-3-butenylidene)-hydrazino]-5-(o-chlorophenyl)-3H-1,4-benzodiazepine
Database identifiers
- PubChem CID
- 86734641
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 692
Related reactions
3 records
Compound notes
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