1-(2,5-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,5-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V011-4980 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(c1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.888 |
| logD: | 4.888 |
| logSw: | -4.6961 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.677 |
| InChI Key: | SCJXQANVXWNHFC-UHFFFAOYSA-N |