2-{[2-(azepan-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-(azepan-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-0215 |
| Compound Name: | 2-{[2-(azepan-1-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 411.51 |
| Molecular Formula: | C19 H20 F3 N3 S2 |
| Smiles: | C1CCCN(CC1)CCSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.553 |
| logD: | 4.6193 |
| logSw: | -6.0602 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8307 |
| InChI Key: | PRUCOUUHPZSVHB-UHFFFAOYSA-N |