Basic information
- CAS
3910-27-8- Standard SMILES
COc1ccc2c(c1)Nc1ccccc1N(CCN(C)C)C2=O- InChIKey
QBBXYGIYHGHEKF-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-3-methoxy-
- IUPAC
- 5-[2-(dimethylamino)ethyl]-9-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one
Names & synonyms
BRN 08964345H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-3-methoxy-3910-27-8DTXSID101923495-25-02-00169 (Beilstein Handbook Reference)10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-3-methoxy-RefChem:305599DTXCID7011484010-[2-(Dimethylamino)ethyl]-3-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Database identifiers
- CAS
3910-27-8- PubChem CID
- 19792
- DTXSID
DTXSID10192349- Nikkaji
- J72.849G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…