3-[(4-fluorophenyl)methyl]-N-[(oxolan-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-fluorophenyl)methyl]-N-[(oxolan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-N-[(oxolan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V015-6070 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-[(oxolan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 491.53 |
| Molecular Formula: | C26 H29 F4 N3 O2 |
| Smiles: | C1CC(CNC(C2Cc3cc(ccc3N3CCN(CC23)Cc2ccc(cc2)F)C(F)(F)F)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.724 |
| logD: | 3.1175 |
| logSw: | -4.0316 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.151 |
| InChI Key: | JAHKQZFOCBYNFL-UHFFFAOYSA-N |