5-ethyl-12-oxo-N-[4-(trifluoromethoxy)phenyl]-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-ethyl-12-oxo-N-[4-(trifluoromethoxy)phenyl]-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-ethyl-12-oxo-N-[4-(trifluoromethoxy)phenyl]-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0106 |
| Compound Name: | 5-ethyl-12-oxo-N-[4-(trifluoromethoxy)phenyl]-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C23 H24 F3 N3 O3 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0632 |
| logD: | 5.0632 |
| logSw: | -4.6141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.606 |
| InChI Key: | OZSCZXOWKYAICV-FQEVSTJZSA-N |