ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8005-5926 |
| Compound Name: | ethyl 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C18 H18 N4 O3 S2 |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC(CSc1nc(C)cc(C)n1)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9564 |
| logD: | 3.9563 |
| logSw: | -3.8914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.537 |
| InChI Key: | KHLVOXFAXVXSRH-UHFFFAOYSA-N |