2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide
Chemical Structure Depiction of
2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide
2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide
Compound characteristics
| Compound ID: | 8013-0042 |
| Compound Name: | 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide |
| Molecular Weight: | 521.48 |
| Molecular Formula: | C26 H25 Br N4 O S |
| Smiles: | CC(C(Nc1c(C)cc(C)cc1C)=O)Sc1nnc(c2cccc(c2)[Br])n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6491 |
| logD: | 6.649 |
| logSw: | -5.6205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.68 |
| InChI Key: | HWLNCFCTQXWNIH-IBGZPJMESA-N |