1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1493 |
| Compound Name: | 1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(c2ccncc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5265 |
| logD: | 3.5265 |
| logSw: | -3.7312 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.931 |
| InChI Key: | XSTLNSGPAOBDKK-UHFFFAOYSA-N |