N-(3-chloro-4-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L849-1838 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | Cn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2432 |
| logD: | 3.2429 |
| logSw: | -3.7814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.915 |
| InChI Key: | CCKSGIJWXMBALE-UHFFFAOYSA-N |