Basic information
- Standard SMILES
CN1CCN=C(C=Cc2cc([N+](=O)[O-])ccc2SCc2ccccc2)c2ccccc21.Cl.Cl- InChIKey
MPIDTAUCRRDFAT-UHFFFAOYSA-N- Molecular formula
- C25H25Cl2N3O2S
- Average molar mass
- 502.5 g/mol
Names & identifiers
- Preferred name
- (E)-5-(2-benzylthio-5-nitrostyryl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepine dihydrochloride
- IUPAC
- 5-[2-(2-benzylsulfanyl-5-nitrophenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine;dihydrochloride
Names & synonyms
SCHEMBL6778926MPIDTAUCRRDFAT-UHFFFAOYSA-N(E)-5-(2-benzylthio-5-nitrostyryl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepine dihydrochloride
Database identifiers
- PubChem CID
- 69893360
Properties
Computed structural properties
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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