N-[(2-fluorophenyl)methyl]-3-(furan-2-carbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-3-(furan-2-carbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(2-fluorophenyl)methyl]-3-(furan-2-carbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-1313 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-3-(furan-2-carbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 501.48 |
| Molecular Formula: | C26 H23 F4 N3 O3 |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)C(c1ccco1)=O)C(NCc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1295 |
| logD: | 4.1295 |
| logSw: | -4.2066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.991 |
| InChI Key: | DANFEUPSAHOPQR-UHFFFAOYSA-N |