5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazole
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0109 |
| Compound Name: | 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nc(CSc2nnc(Cc3ccccc3)n2c2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.43 |
| logD: | 5.43 |
| logSw: | -5.5724 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.576 |
| InChI Key: | WOBDFXLCRDYNSB-UHFFFAOYSA-N |