3-cyclopentyl-N-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-2031 |
| Compound Name: | 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C26 H29 F4 N3 O |
| Salt: | not_available |
| Smiles: | C1CCC(C1)N1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6203 |
| logD: | 2.3845 |
| logSw: | -4.3765 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.4158 |
| InChI Key: | BFKXPQQAJYTDHD-UHFFFAOYSA-N |