2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylic acid
Chemical Structure Depiction of
2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylic acid
2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylic acid
Compound characteristics
| Compound ID: | 8018-5827 |
| Compound Name: | 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylic acid |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C16 H14 N4 O3 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCC(Nc1nc2ccc(cc2s1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2983 |
| logD: | 0.8693 |
| logSw: | -3.3204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.192 |
| InChI Key: | AQUKXYCJOBQQIL-UHFFFAOYSA-N |