ethyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | G878-0121 |
| Compound Name: | ethyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CCOC(C(C)Sc1nnc(c2c[nH]c3ccccc23)n1c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6764 |
| logD: | 4.6764 |
| logSw: | -4.3282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.152 |
| InChI Key: | RJYFYWDWEGALDX-AWEZNQCLSA-N |