ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | G878-0139 |
| Compound Name: | ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CCOC(C(C)Sc1nnc(c2c[nH]c3ccccc23)n1c1cc(ccc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7843 |
| logD: | 4.7842 |
| logSw: | -4.6409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.482 |
| InChI Key: | GNCNGDKATDFYJB-AWEZNQCLSA-N |