3-benzyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
3-benzyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-8768 |
| Compound Name: | 3-benzyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C24 H23 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5012 |
| logD: | 5.5012 |
| logSw: | -5.5647 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.232 |
| InChI Key: | XAPFQAUFPKTZDP-UHFFFAOYSA-N |