methyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
methyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | G878-0173 |
| Compound Name: | methyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCC(C(=O)OC)Sc1nnc(c2c[nH]c3ccccc23)n1c1ccc(cc1)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.139 |
| logD: | 5.139 |
| logSw: | -5.174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.152 |
| InChI Key: | YAHBORHFHSIMFH-FQEVSTJZSA-N |