Basic information
- CAS
36985-47-4- Standard SMILES
CN(C)C1=Nc2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)C1- InChIKey
JPKQTZQKHUBTAW-UHFFFAOYSA-N- Molecular formula
- C18H16F3N3O
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.12454663
Names & identifiers
- Preferred name
- 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-
- IUPAC
- 4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one
- English name
- 4-(Dimethylamino)-1,3-dihydro-1-phenyl-8-(trifluoromethyl)-2H-1,5-benzodiazepin-2-one
- Molecular weight
- 0
Names & synonyms
36985-47-4BRN 08971862H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-DTXSID801904785-25-15-00138 (Beilstein Handbook Reference)4-(Dimethylamino)-1-phenyl-8-(trifluoromethyl)-2H-1,3-dihydro-(1,5)-benzodiazepine-2-oneRefChem:267597DTXCID901129694-Dimethylamino-1-Phenyl-8-(Trifluoromethyl)-3H-1,5-Benzodiazepin-2-One4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one4-(Dimethylamino)-1,3-dihydro-1-phenyl-8-(trifluoromethyl)-2H-1,5-benzodiazepin-2-one
Database identifiers
- CAS
36985-47-4- PubChem CID
- 37599
- DTXSID
DTXSID80190478- Nikkaji
- J41.261I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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