dimethyl 2-[(4-methylbenzene-1-sulfonyl)carbamamido]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(4-methylbenzene-1-sulfonyl)carbamamido]benzene-1,4-dicarboxylate
dimethyl 2-[(4-methylbenzene-1-sulfonyl)carbamamido]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | 4778-0094 |
| Compound Name: | dimethyl 2-[(4-methylbenzene-1-sulfonyl)carbamamido]benzene-1,4-dicarboxylate |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C18 H18 N2 O7 S |
| Smiles: | Cc1ccc(cc1)S(NC(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.974 |
| logD: | -0.0634 |
| logSw: | -3.5085 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.928 |
| InChI Key: | PEWAQCWSGYLOTP-UHFFFAOYSA-N |