methyl 2-{2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y010-1457 |
| Compound Name: | methyl 2-{2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C20 H16 N4 O4 S3 |
| Smiles: | COC(c1ccccc1NC(CSc1nnc(CSc2nc3ccccc3s2)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.835 |
| logD: | 3.8212 |
| logSw: | -4.023 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.437 |
| InChI Key: | SNBJHOQBPNKJMI-UHFFFAOYSA-N |