methyl 4-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0003 |
| Compound Name: | methyl 4-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C20 H15 N3 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c(C#N)ccc(c2cccs2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4513 |
| logD: | 4.4512 |
| logSw: | -4.3706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.84 |
| InChI Key: | AKYASNWUBVXHDN-UHFFFAOYSA-N |