dimethyl 5-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K953-0366 |
| Compound Name: | dimethyl 5-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C20 H18 N2 O6 S |
| Smiles: | COC(c1cc(cc(c1)NC(CCN1C(Oc2ccccc12)=S)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7904 |
| logD: | 3.7903 |
| logSw: | -4.131 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.35 |
| InChI Key: | VEGXUVGWCQOZCI-UHFFFAOYSA-N |