N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(trifluoromethyl)benzamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | C803-0335 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 401.39 |
| Molecular Formula: | C21 H18 F3 N3 O2 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7448 |
| logD: | 3.744 |
| logSw: | -4.1308 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.811 |
| InChI Key: | QWAZVNHFFAWTPS-UHFFFAOYSA-N |