methyl 2-[2-({[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-[2-({[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate
methyl 2-[2-({[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8009-2661 |
| Compound Name: | methyl 2-[2-({[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetamido]-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 570.65 |
| Molecular Formula: | C29 H22 N4 O5 S2 |
| Smiles: | COC(c1ccc2c(c1)sc(NC(COC(CSc1nc(cc(c3ccccc3)n1)c1ccccc1)=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0047 |
| logD: | 7.0047 |
| logSw: | -5.6995 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.336 |
| InChI Key: | SMGUBCZSNYCPQO-UHFFFAOYSA-N |