N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,5-dimethoxyphenyl)-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: | L849-1695 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C23 H24 N6 O3 S |
| Smiles: | Cn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8716 |
| logD: | 2.8715 |
| logSw: | -3.5031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.372 |
| InChI Key: | KXOBNAMJPKBOSJ-UHFFFAOYSA-N |