methyl 2-(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
methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(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: | L849-1685 |
| Compound Name: | methyl 2-(2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | Cn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4571 |
| logD: | 2.4433 |
| logSw: | -2.9559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.76 |
| InChI Key: | NIIQSQAITPNODX-UHFFFAOYSA-N |