3-[4-(2,5-dimethoxyphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
Chemical Structure Depiction of
3-[4-(2,5-dimethoxyphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
3-[4-(2,5-dimethoxyphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
Compound characteristics
Compound ID: | G878-0128 |
Compound Name: | 3-[4-(2,5-dimethoxyphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole |
Molecular Weight: | 394.49 |
Molecular Formula: | C21 H22 N4 O2 S |
Smiles: | CCCSc1nnc(c2c[nH]c3ccccc23)n1c1cc(ccc1OC)OC |
Stereo: | ACHIRAL |
logP: | 4.8598 |
logD: | 4.8598 |
logSw: | -4.7563 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.728 |
InChI Key: | ICYUIHYHULEOCL-UHFFFAOYSA-N |