methyl 2-(2-{[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]sulfanyl}acetamido)-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-(2-{[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]sulfanyl}acetamido)-1,3-benzothiazole-6-carboxylate
methyl 2-(2-{[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]sulfanyl}acetamido)-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8006-2676 |
| Compound Name: | methyl 2-(2-{[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]sulfanyl}acetamido)-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C21 H18 N2 O6 S2 |
| Smiles: | COC(c1ccc2c(c1)sc(NC(CSCC(=O)OCC(c1ccccc1)=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8163 |
| logD: | 3.8163 |
| logSw: | -4.1536 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.833 |
| InChI Key: | ZZOOPUKAVKKTKA-UHFFFAOYSA-N |