ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9056 |
| Compound Name: | ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C25 H28 N6 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(c2cc(C)n(C)n2)n1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5472 |
| logD: | 1.5462 |
| logSw: | -3.9484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.226 |
| InChI Key: | RJOXGKJJDQMUSN-UHFFFAOYSA-N |