1-(4-ethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-ethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-ethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8008-4490 |
| Compound Name: | 1-(4-ethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | CCc1ccc(cc1)C(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7062 |
| logD: | 5.7062 |
| logSw: | -5.5117 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.503 |
| InChI Key: | ALJUYIYLGAJFST-UHFFFAOYSA-N |