N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | V009-0455 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C24 H20 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(CNC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5568 |
| logD: | 4.5553 |
| logSw: | -4.7039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.454 |
| InChI Key: | BZUGVXYCARAXBL-UHFFFAOYSA-N |