4-(4-methoxyphenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(4-methoxyphenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(propan-2-yl)-4H-1,2,4-triazole
4-(4-methoxyphenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-6891 |
| Compound Name: | 4-(4-methoxyphenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C20 H23 N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(cc1)OC)SCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1789 |
| logD: | 5.1788 |
| logSw: | -5.1202 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.528 |
| InChI Key: | VSMHVEXLTZIUKO-UHFFFAOYSA-N |