Basic information
- CAS
1668-69-5- Standard SMILES
CN(C)CCN1C(=O)c2ccc(Cl)cc2Nc2ccccc21- InChIKey
RQLAEVYQTOGNBK-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1138399
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-3-chloro-10-(2-(dimethylamino)ethyl)-
- IUPAC
- 9-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Names & synonyms
BRN 08952845H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-3-chloro-10-(2-(dimethylamino)ethyl)-1668-69-5DTXSID9016818810,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 3-chloro-10-(2-(dimethylamino)ethyl)-RefChem:305608DTXCID00906793-Chloro-10-[2-(dimethylamino)ethyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Database identifiers
- CAS
1668-69-5- PubChem CID
- 15469
- DTXSID
DTXSID90168188- Nikkaji
- J72.842J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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