4-(3-methoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-methoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
4-(3-methoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8549 |
| Compound Name: | 4-(3-methoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)OCc1cccc(c1)c1nnc(n1c1cccc(c1)OC)S |
| Stereo: | ACHIRAL |
| logP: | 6.2646 |
| logD: | 4.722 |
| logSw: | -5.7904 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.229 |
| InChI Key: | XIVFIZVKDFQJPD-UHFFFAOYSA-N |