N-[(3-fluorophenyl)methyl]-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-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(3-fluorophenyl)methyl]-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: | V008-7768 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 515.53 |
| Molecular Formula: | C28 H26 F5 N3 O |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)Cc1ccc(cc1)F)C(NCc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0123 |
| logD: | 4.4058 |
| logSw: | -4.7993 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.4969 |
| InChI Key: | PCRSEICAIJDUFM-UHFFFAOYSA-N |