3-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-3764 |
| Compound Name: | 3-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methyl}sulfanyl)-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C27 H29 N3 O2 S |
| Smiles: | CC(C)c1cc(CSc2nnc(c3ccc(cc3)OC)n2c2ccccc2)c(C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.8658 |
| logD: | 6.8658 |
| logSw: | -5.8197 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.887 |
| InChI Key: | HDIDUZSDWVYFCF-UHFFFAOYSA-N |