5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)-1,2,4-oxadiazole
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0034 |
| Compound Name: | 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C25 H21 N5 O S |
| Smiles: | Cc1ccccc1c1nc(CSc2nnc(Cc3ccccc3)n2c2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.4655 |
| logD: | 5.4655 |
| logSw: | -5.6008 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.032 |
| InChI Key: | RGOUKOIPCZQNID-UHFFFAOYSA-N |