N-(3-chloro-2-methylphenyl)-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-2-methylphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-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: | L849-1667 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C22 H21 Cl N6 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nnc(c2cn(C)nc2c2ccccc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5399 |
| logD: | 3.5397 |
| logSw: | -3.9908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | KWMGHNYFDCOABI-UHFFFAOYSA-N |