4-({[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)benzoic acid
Chemical Structure Depiction of
4-({[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)benzoic acid
4-({[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | 6773-0684 |
| Compound Name: | 4-({[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C25 H18 N2 O3 S2 |
| Smiles: | COc1ccc(cc1)c1cc(c2cccs2)nc(c1C#N)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5054 |
| logD: | 3.5339 |
| logSw: | -5.541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.197 |
| InChI Key: | HOBIIFVZCLVPSL-UHFFFAOYSA-N |