5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-
Basic information
- CAS
1168-11-2- Standard SMILES
CN(C)CCN1C(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc21- InChIKey
NUMLEZZJLDPKGR-UHFFFAOYSA-N- Molecular formula
- C18H18F3N3O
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 349.14019669
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-
- IUPAC
- 5-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-one
Names & synonyms
BRN 09007685H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-1168-11-2DTXSID001515215-24-04-00139 (Beilstein Handbook Reference)RefChem:305605DTXCID907401210-[2-(dimethylamino)ethyl]-8-(trifluoromethyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Database identifiers
- CAS
1168-11-2- PubChem CID
- 14430
- DTXSID
DTXSID00151521- Nikkaji
- J72.854C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
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Compound notes
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