methyl 4,5-dimethyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
methyl 4,5-dimethyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5055-7312 |
| Compound Name: | methyl 4,5-dimethyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C18 H16 N4 O3 S3 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CSc2nnc3n2c2ccccc2s3)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.6829 |
| logD: | 1.6173 |
| logSw: | -4.2062 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.424 |
| InChI Key: | AGCYNCZFIZJTGK-UHFFFAOYSA-N |