N-(4-acetylphenyl)-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L849-1553 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.56 |
| Molecular Formula: | C24 H24 N6 O2 S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8892 |
| logD: | 2.889 |
| logSw: | -3.3841 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.026 |
| InChI Key: | YWHWQSGYIXYGGT-UHFFFAOYSA-N |