ethyl 2-(2-{[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(2-{[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9111 |
| Compound Name: | ethyl 2-(2-{[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 525.09 |
| Molecular Formula: | C22 H29 Cl N6 O3 S2 |
| Smiles: | CCCCn1c(c2c(c(C)nn2C)[Cl])nnc1SCC(Nc1c(C(=O)OCC)c(C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1057 |
| logD: | 2.0135 |
| logSw: | -4.8364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.785 |
| InChI Key: | WBBDWQMOJOGUHJ-UHFFFAOYSA-N |