methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 3706-0362 |
| Compound Name: | methyl 2-{2-[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C20 H19 N3 O4 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7422 |
| logD: | 3.7292 |
| logSw: | -3.9561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.823 |
| InChI Key: | VJFINLOJMZMRSJ-UHFFFAOYSA-N |