4-chloro-N-{[4-(2,5-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-{[4-(2,5-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
4-chloro-N-{[4-(2,5-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V010-0240 |
| Compound Name: | 4-chloro-N-{[4-(2,5-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide |
| Molecular Weight: | 562.86 |
| Molecular Formula: | C24 H18 Cl3 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1CSc1nnc(CNC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)n1c1cc(ccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.234 |
| logD: | 6.2315 |
| logSw: | -6.09 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.153 |
| InChI Key: | LLQNRZMYGMFVFS-UHFFFAOYSA-N |