N-{[4-(2,4-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[4-(2,4-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
N-{[4-(2,4-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V004-4636 |
| Compound Name: | N-{[4-(2,4-dichlorophenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 542.44 |
| Molecular Formula: | C25 H21 Cl2 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(CNC(c3ccc(C)c(c3)[N+]([O-])=O)=O)n2c2ccc(cc2[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3248 |
| logD: | 6.3244 |
| logSw: | -6.1692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.153 |
| InChI Key: | CIBNGKFNKNYFCP-UHFFFAOYSA-N |