4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Compound characteristics
| Compound ID: | V022-2222 |
| Compound Name: | 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C31 H28 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1ccc(cc1)C(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9817 |
| logD: | 5.9816 |
| logSw: | -5.5804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.324 |
| InChI Key: | HOHPBKDCZLBRPK-UHFFFAOYSA-N |