ethyl 4-(3,4-dimethylphenyl)-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dimethylphenyl)-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4-(3,4-dimethylphenyl)-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-3835 |
| Compound Name: | ethyl 4-(3,4-dimethylphenyl)-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C25 H22 N4 O3 S3 |
| Smiles: | CCOC(c1c(csc1NC(CSc1nnc2n1c1ccccc1s2)=O)c1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.974 |
| logD: | 5.9632 |
| logSw: | -5.4968 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.732 |
| InChI Key: | PXBOTPXRFOOHMO-UHFFFAOYSA-N |