N-methyl-12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-methyl-12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-methyl-12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0465 |
| Compound Name: | N-methyl-12-oxo-N-[3-(trifluoromethyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 415.41 |
| Molecular Formula: | C22 H20 F3 N3 O2 |
| Smiles: | CN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.4185 |
| logD: | 3.4185 |
| logSw: | -3.906 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.089 |
| InChI Key: | VUIPEJGLROXXIA-UHFFFAOYSA-N |