3-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V012-7367 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 503.95 |
| Molecular Formula: | C26 H25 Cl F3 N3 O2 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)Cc1ccc(cc1)[Cl])C(NCc1ccco1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1645 |
| logD: | 4.67 |
| logSw: | -5.8157 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.246 |
| InChI Key: | PSYPOUXRHNSNTM-UHFFFAOYSA-N |