3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | V010-0250 |
| Compound Name: | 3,5-dichloro-N-{[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 497.45 |
| Molecular Formula: | C25 H22 Cl2 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(CNC(c2cc(cc(c2)[Cl])[Cl])=O)nnc1SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.9033 |
| logD: | 6.9025 |
| logSw: | -6.3086 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.374 |
| InChI Key: | SQRBIAGWLBRWNI-UHFFFAOYSA-N |