2-{[3-(4-tert-butylbenzene-1-sulfonyl)-2-hydroxypropyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[3-(4-tert-butylbenzene-1-sulfonyl)-2-hydroxypropyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
2-{[3-(4-tert-butylbenzene-1-sulfonyl)-2-hydroxypropyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4379-0528 |
| Compound Name: | 2-{[3-(4-tert-butylbenzene-1-sulfonyl)-2-hydroxypropyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile |
| Molecular Weight: | 548.75 |
| Molecular Formula: | C29 H28 N2 O3 S3 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CC(CSc1c(C#N)c(cc(c2cccs2)n1)c1ccccc1)O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.107 |
| logD: | 7.107 |
| logSw: | -5.8266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.901 |
| InChI Key: | CPCRQBYLVCGXDU-QFIPXVFZSA-N |