9-methyl-4-oxo-N-(2,4,6-trifluorophenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Chemical Structure Depiction of
9-methyl-4-oxo-N-(2,4,6-trifluorophenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
9-methyl-4-oxo-N-(2,4,6-trifluorophenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Compound characteristics
| Compound ID: | V018-0484 |
| Compound Name: | 9-methyl-4-oxo-N-(2,4,6-trifluorophenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide |
| Molecular Weight: | 405.44 |
| Molecular Formula: | C20 H18 F3 N3 O S |
| Smiles: | Cc1ccc2C3CN(CC(N3CCc2c1)=O)C(Nc1c(cc(cc1F)F)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6372 |
| logD: | 3.6276 |
| logSw: | -3.9162 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.849 |
| InChI Key: | WZGBXFIMRWHOFP-KRWDZBQOSA-N |