dimethyl 5-[3-(4-methoxybenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(4-methoxybenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(4-methoxybenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K978-1312 |
| Compound Name: | dimethyl 5-[3-(4-methoxybenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C20 H21 N O8 S |
| Smiles: | COC(c1cc(cc(c1)NC(CCS(c1ccc(cc1)OC)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7315 |
| logD: | 2.7312 |
| logSw: | -3.4841 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.044 |
| InChI Key: | WBBPGZCJNUVXQM-UHFFFAOYSA-N |