ethyl 2-(2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-8743 |
| Compound Name: | ethyl 2-(2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methylpropyl)-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: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(c2c(c(C)nn2C)[Cl])n1CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1229 |
| logD: | 2.0308 |
| logSw: | -4.9172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.807 |
| InChI Key: | IIYYNSILNHMHTL-UHFFFAOYSA-N |