Basic information
- CAS
78756-34-0- Standard SMILES
O=C1Nc2cc(Cl)ccc2C(=O)N2CCC[C@@H]12- InChIKey
PUERSVHFINIUMP-JTQLQIEISA-N- Molecular formula
- C12H11ClN2O2
- Average molar mass
- 250.68 g/mol
- Monoisotopic mass
- 250.0509053
Names & identifiers
- Preferred name
- (11aS)-8-Chloro-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
- IUPAC
- (6aS)-3-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Names & synonyms
NSC697764CHEMBL1976942DTXSID601127271NSC-697764(11aS)-8-Chloro-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione78756-34-0NCI60_034902
Database identifiers
- CAS
78756-34-0- PubChem CID
- 394364
- DTXSID
DTXSID601127271- ChEMBL
CHEMBL1976942- Nikkaji
- J2.095.922C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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