methyl 2-[2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-[2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate
methyl 2-[2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8008-5990 |
| Compound Name: | methyl 2-[2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C19 H18 N4 O5 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCC(=O)OCC(Nc1nc2ccc(cc2s1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3773 |
| logD: | 3.3772 |
| logSw: | -3.5945 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.492 |
| InChI Key: | NOQOTXRVLIXJDX-UHFFFAOYSA-N |