2-(2-dimethylaminoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine maleate
Basic information
- CAS
57616-48-5- Standard SMILES
CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1.O=C(O)/C=C\C(=O)O- InChIKey
GFGQMEZSKAQPQP-BTJKTKAUSA-N- Molecular formula
- C23H23Cl2N3O4S
- Average molar mass
- 508.4 g/mol
- Monoisotopic mass
- 507.0786328
Names & identifiers
- Preferred name
- 2-(2-dimethylaminoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine maleate
- IUPAC
- (Z)-but-2-enedioic acid;2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylethanamine
Names & synonyms
NSC376354CHEMBL1995031SCHEMBL11648687GFGQMEZSKAQPQP-BTJKTKAUSA-NNSC-3763542-(2-dimethylaminoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine maleate
Database identifiers
- CAS
57616-48-5- PubChem CID
- 5385035
- ChEMBL
CHEMBL1995031
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 628
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…