dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate
dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C700-0383 |
| Compound Name: | dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | COC(c1cc(cc(c1)NC(CCSCCc1ccccn1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2986 |
| logD: | 3.2984 |
| logSw: | -3.6425 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.007 |
| InChI Key: | QMYNDTAXEBERTF-UHFFFAOYSA-N |