2-{[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-2393 |
| Compound Name: | 2-{[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C21 H18 F3 N3 O S2 |
| Smiles: | Cc1ccc(cc1)NCC(CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8704 |
| logD: | 5.8701 |
| logSw: | -5.7932 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.643 |
| InChI Key: | ICWCPMUXLOUVES-HNNXBMFYSA-N |