2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-0135 |
| Compound Name: | 2-{[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C24 H23 F3 N2 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)OCC(CSc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3953 |
| logD: | 7.3953 |
| logSw: | -5.9013 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.636 |
| InChI Key: | LDEVCXREMCMXIA-INIZCTEOSA-N |