Basic information
- CAS
1163-09-3- Standard SMILES
CN(C)CCCN1C(=O)c2ccccc2Nc2cc(Cl)ccc21- InChIKey
ONZPYYBDRDYTAH-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.12949
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-7-chloro-10-(3-(dimethylamino)propyl)-
- IUPAC
- 2-chloro-5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Names & synonyms
5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-7-chloro-10-(3-(dimethylamino)propyl)-1163-09-3DTXSID5015133910,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 7-chloro-10-(3-(dimethylamino)propyl)-RefChem:305612DTXCID90738307-chloro-10-[3-(dimethylamino)propyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Database identifiers
- CAS
1163-09-3- PubChem CID
- 14409
- DTXSID
DTXSID50151339- Nikkaji
- J72.845D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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