ethyl 4-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L849-1760 |
| Compound Name: | ethyl 4-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 476.56 |
| Molecular Formula: | C24 H24 N6 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2cn(C)nc2c2ccccc2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.334 |
| logD: | 3.3339 |
| logSw: | -3.534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.038 |
| InChI Key: | ZEJYDYNTCFADDW-UHFFFAOYSA-N |