ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V003-1783 |
| Compound Name: | ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2cc(cc(c2)OC)OC)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8169 |
| logD: | 4.8168 |
| logSw: | -4.4403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.23 |
| InChI Key: | ICKLDDUIQPPZJU-UHFFFAOYSA-N |