ethyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D360-0205 |
| Compound Name: | ethyl 2-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C23 H21 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1c(C#N)ccc(c2ccco2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7145 |
| logD: | 2.6113 |
| logSw: | -4.4922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.695 |
| InChI Key: | OQCKAHBHSYZYEF-UHFFFAOYSA-N |