N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V009-2049 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 513.53 |
| Molecular Formula: | C28 H27 F4 N3 O2 |
| Salt: | not_available |
| Smiles: | COc1ccccc1N1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9961 |
| logD: | 4.9943 |
| logSw: | -4.4473 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.546 |
| InChI Key: | NVQNOQWQZRSWIC-UHFFFAOYSA-N |