dimethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
dimethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 3230-0829 |
| Compound Name: | dimethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C19 H16 N2 O5 S2 |
| Smiles: | COC(c1cc(cc(c1)NC(CSc1nc2ccccc2s1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6881 |
| logD: | 4.6881 |
| logSw: | -4.5107 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.545 |
| InChI Key: | ZQVGESRWULSQAA-UHFFFAOYSA-N |