ethyl 2-(2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-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-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-8738 |
| Compound Name: | ethyl 2-(2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C20 H26 N6 O3 S2 |
| Smiles: | CCn1c(c2cc(C)nn2C)nnc1SCC(Nc1c(C(=O)OCC)c(C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6513 |
| logD: | 0.5591 |
| logSw: | -2.8292 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.985 |
| InChI Key: | YBQVMJDPGJAXSN-UHFFFAOYSA-N |