methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 5493-0072 |
| Compound Name: | methyl 2-{2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C27 H20 N4 O3 S2 |
| Smiles: | COC(c1ccc2c(c1)sc(NC(CSc1nc(cc(c3ccccc3)n1)c1ccccc1)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0731 |
| logD: | 7.0731 |
| logSw: | -5.7065 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.802 |
| InChI Key: | FJAICQNOTAFFTJ-UHFFFAOYSA-N |