dimethyl 5-[2-(phenylmethanesulfonyl)acetamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[2-(phenylmethanesulfonyl)acetamido]benzene-1,3-dicarboxylate
dimethyl 5-[2-(phenylmethanesulfonyl)acetamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y032-3473 |
| Compound Name: | dimethyl 5-[2-(phenylmethanesulfonyl)acetamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 405.42 |
| Molecular Formula: | C19 H19 N O7 S |
| Smiles: | COC(c1cc(cc(c1)NC(CS(Cc1ccccc1)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.394 |
| logD: | 2.3938 |
| logSw: | -2.9277 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.764 |
| InChI Key: | QINOBFCJIYDCNU-UHFFFAOYSA-N |