dimethyl 5-(2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-(2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
dimethyl 5-(2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C700-0368 |
| Compound Name: | dimethyl 5-(2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamido)benzene-1,3-dicarboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C19 H20 N2 O5 S |
| Smiles: | COC(c1cc(cc(c1)NC(CSCCc1ccccn1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3651 |
| logD: | 3.3648 |
| logSw: | -3.6934 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.007 |
| InChI Key: | MDTCZDHAMWNHIJ-UHFFFAOYSA-N |