1-(2,5-dimethoxyphenyl)-2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,5-dimethoxyphenyl)-2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V015-3783 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccco2)nnc1SCC(c1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 4.4 |
| logSw: | -4.4582 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.712 |
| InChI Key: | AGMVEWSGISMDFK-UHFFFAOYSA-N |