ethyl 2-(2-{[4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(2-{[4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-8741 |
| Compound Name: | ethyl 2-(2-{[4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 545.08 |
| Molecular Formula: | C24 H25 Cl N6 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(c2c(cn(C)n2)[Cl])n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2747 |
| logD: | 2.1825 |
| logSw: | -4.6843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.022 |
| InChI Key: | VPBPQGUCYNQSHZ-UHFFFAOYSA-N |