5-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole
Chemical Structure Depiction of
5-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole
5-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole
Compound characteristics
| Compound ID: | K822-0178 |
| Compound Name: | 5-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C25 H22 N4 S |
| Smiles: | Cc1c2cc(ccc2[nH]c1C)c1nnc(n1c1ccccc1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7674 |
| logD: | 5.7674 |
| logSw: | -5.7741 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.639 |
| InChI Key: | DZAOCVYOBMUNKU-UHFFFAOYSA-N |