3-{[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]sulfanyl}-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-{[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]sulfanyl}-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-{[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]sulfanyl}-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | Y501-9520 |
| Compound Name: | 3-{[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]sulfanyl}-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C19 H13 Cl2 F3 N4 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(nc2C(F)(F)F)SCc1cn2cc(cc(c2n1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1651 |
| logD: | 6.1651 |
| logSw: | -6.8348 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.063 |
| InChI Key: | WQRKJNXHXHGOEF-UHFFFAOYSA-N |