methyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0195 |
| Compound Name: | methyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C20 H15 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1c(C#N)ccc(c2ccco2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3473 |
| logD: | 3.3317 |
| logSw: | -3.7834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.703 |
| InChI Key: | OQGJIUVUNRJAGQ-UHFFFAOYSA-N |