N-(butan-2-yl)-3-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(butan-2-yl)-3-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V011-9048 |
| Compound Name: | N-(butan-2-yl)-3-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 463.52 |
| Molecular Formula: | C25 H29 F4 N3 O |
| Smiles: | CCC(C)NC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)F)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7057 |
| logD: | 4.0993 |
| logSw: | -4.1926 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2098 |
| InChI Key: | QSOSOQCWOHHERG-UHFFFAOYSA-N |