methyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
methyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8004-3512 |
| Compound Name: | methyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C17 H16 N4 O3 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCC(Nc1nc2ccc(cc2s1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4457 |
| logD: | 3.4456 |
| logSw: | -3.6713 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.957 |
| InChI Key: | MZLZGQIOPRFFJM-UHFFFAOYSA-N |