3-{[(3-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(3-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-6179 |
| Compound Name: | 3-{[(3-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Smiles: | Cc1cccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2c2ccccc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8403 |
| logD: | 5.8403 |
| logSw: | -5.6985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.094 |
| InChI Key: | VVHKVOJOUJENHY-UHFFFAOYSA-N |