3-(4-methylphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(4-methylphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
3-(4-methylphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0159 |
| Compound Name: | 3-(4-methylphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CCCn1c(c2ccccc2)nnc1SCc1nc(c2ccc(C)cc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.7539 |
| logD: | 5.7539 |
| logSw: | -5.7003 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.562 |
| InChI Key: | TVOBHUMYQCITED-UHFFFAOYSA-N |