3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
Compound ID: | V001-9319 |
Compound Name: | 3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
Molecular Weight: | 513.56 |
Molecular Formula: | C27 H30 F3 N5 O2 |
Salt: | not_available |
Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)c1ccccc1C#N)C(NCCN1CCOCC1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.0446 |
logD: | 2.9539 |
logSw: | -3.5467 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.705 |
InChI Key: | LBLAQDVZEZSNJO-UHFFFAOYSA-N |