ethyl 2-(2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-8707 |
| Compound Name: | ethyl 2-(2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 554.69 |
| Molecular Formula: | C26 H30 N6 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(c2cc(C)nn2C)n1c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9784 |
| logD: | 1.9774 |
| logSw: | -4.087 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.856 |
| InChI Key: | MDIUCIRWCKONFA-UHFFFAOYSA-N |