Basic information
- Standard SMILES
COc1cccc(-c2ccc3c(c2)N(C)CCN=C3C=Cc2ccc(Cl)c(Cl)c2)c1.Cl.Cl- InChIKey
UXCLPVNJULVEAY-UHFFFAOYSA-N- Molecular formula
- C25H24Cl4N2O
- Average molar mass
- 510.3 g/mol
Names & identifiers
- Preferred name
- (E)-5-(3,4-dichlorostyryl)-2,3-dihydro-8-(3-methoxyphenyl)-1-methyl-1H-1,4-benzodiazepine dihydrochloride
- IUPAC
- 5-[2-(3,4-dichlorophenyl)ethenyl]-8-(3-methoxyphenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine;dihydrochloride
Names & synonyms
SCHEMBL6776613UXCLPVNJULVEAY-UHFFFAOYSA-N(E)-5-(3,4-dichlorostyryl)-2,3-dihydro-8-(3-methoxyphenyl)-1-methyl-1H-1,4-benzodiazepine dihydrochloride
Database identifiers
- PubChem CID
- 69892835
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 624
Related reactions
1 records
Compound notes
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