2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-6218 |
| Compound Name: | 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 383.82 |
| Molecular Formula: | C17 H13 Cl F3 N3 S |
| Smiles: | C1CCc2c(C1)c(c(C#N)c(n2)SCc1ccc(nc1)[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.5985 |
| logD: | 4.5985 |
| logSw: | -5.0204 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.196 |
| InChI Key: | JXHROHPFXPSWKP-UHFFFAOYSA-N |