3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Chemical Structure Depiction of
3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Compound characteristics
| Compound ID: | G878-0132 |
| Compound Name: | 3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CC(C)CCSc1nnc(c2c[nH]c3ccccc23)n1c1cc(ccc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5991 |
| logD: | 5.599 |
| logSw: | -5.7517 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.728 |
| InChI Key: | YAAOAZRXCCZKGC-UHFFFAOYSA-N |