N-(2-methyl-5-nitrophenyl)-2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methyl-5-nitrophenyl)-2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-methyl-5-nitrophenyl)-2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-0357 |
| Compound Name: | N-(2-methyl-5-nitrophenyl)-2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C24 H21 N5 O3 S |
| Smiles: | Cc1cccc(c1)c1nnc(n1c1ccccc1)SCC(Nc1cc(ccc1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8311 |
| logD: | 4.8301 |
| logSw: | -4.5918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.546 |
| InChI Key: | MUBVMYFNTNHGOZ-UHFFFAOYSA-N |