3-{[(2-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-9460 |
| Compound Name: | 3-{[(2-methylphenyl)methyl]sulfanyl}-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9939 |
| logD: | 5.9939 |
| logSw: | -5.7035 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.094 |
| InChI Key: | COILRXOVVZTKHI-UHFFFAOYSA-N |