N-[(4-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-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(4-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: | V006-1289 |
Compound Name: | N-[(4-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(NCc1ccc(cc1)F)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.7842 |
logD: | 3.7841 |
logSw: | -4.0109 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.991 |
InChI Key: | AHBVLMPWXFIADB-UHFFFAOYSA-N |