3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-1081 |
| Compound Name: | 3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)OCc1nnc(n1CC=C)SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.455 |
| logD: | 5.455 |
| logSw: | -5.5776 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.238 |
| InChI Key: | NCMWMJHBINUJLE-UHFFFAOYSA-N |