2,3-dimethyl-5-[5-(pentylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1H-indole
Chemical Structure Depiction of
2,3-dimethyl-5-[5-(pentylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1H-indole
2,3-dimethyl-5-[5-(pentylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1H-indole
Compound characteristics
| Compound ID: | K822-0205 |
| Compound Name: | 2,3-dimethyl-5-[5-(pentylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1H-indole |
| Molecular Weight: | 390.55 |
| Molecular Formula: | C23 H26 N4 S |
| Smiles: | CCCCCSc1nnc(c2ccc3c(c2)c(C)c(C)[nH]3)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6593 |
| logD: | 6.6593 |
| logSw: | -5.8159 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.91 |
| InChI Key: | PTFSPWQHOWATOD-UHFFFAOYSA-N |