5-ethyl-12-oxo-N-{[2-(trifluoromethyl)phenyl]methyl}-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-ethyl-12-oxo-N-{[2-(trifluoromethyl)phenyl]methyl}-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-ethyl-12-oxo-N-{[2-(trifluoromethyl)phenyl]methyl}-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0475 |
| Compound Name: | 5-ethyl-12-oxo-N-{[2-(trifluoromethyl)phenyl]methyl}-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H26 F3 N3 O2 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(NCc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5883 |
| logD: | 4.5883 |
| logSw: | -4.293 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.992 |
| InChI Key: | XSHHUKSKQBHVSU-NRFANRHFSA-N |