12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3370 |
| Compound Name: | 12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 401.39 |
| Molecular Formula: | C21 H18 F3 N3 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8251 |
| logD: | 3.7946 |
| logSw: | -4.0781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.811 |
| InChI Key: | QKIPLJDCIZZHCM-UHFFFAOYSA-N |