N-{2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide
N-{2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F260-0047 |
| Compound Name: | N-{2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C21 H19 N5 O3 S3 |
| Smiles: | Cc1ccc(cc1)S(Nc1nc2ccc(cc2s1)NC(CSc1nccc(C)n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3652 |
| logD: | 3.9642 |
| logSw: | -4.2359 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.059 |
| InChI Key: | VVJIXFFOAOYGRH-UHFFFAOYSA-N |