Basic information
- Standard SMILES
CN1CCN=C(C=Cc2ccccc2Sc2ccc(Cl)cc2)c2ccc(-c3ccco3)cc21.Cl.Cl- InChIKey
RWQNPJVUYLWFCD-UHFFFAOYSA-N- Molecular formula
- C28H25Cl3N2OS
- Average molar mass
- 543.9 g/mol
Names & identifiers
- Preferred name
- (E)-5-[2-(4-chlorophenylthio)styryl]-8-(2-furyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepine dihydrochloride
- IUPAC
- 5-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethenyl]-8-(furan-2-yl)-1-methyl-2,3-dihydro-1,4-benzodiazepine;dihydrochloride
Names & synonyms
SCHEMBL6777936RWQNPJVUYLWFCD-UHFFFAOYSA-N(E)-5-[2-(4-chlorophenylthio)styryl]-8-(2-furyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepine dihydrochloride
Database identifiers
- PubChem CID
- 69893152
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 691
Related reactions
1 records
Compound notes
Loading…