5-bromo-2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitropyridine
Chemical Structure Depiction of
5-bromo-2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitropyridine
5-bromo-2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitropyridine
Compound characteristics
| Compound ID: | 8009-9981 |
| Compound Name: | 5-bromo-2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitropyridine |
| Molecular Weight: | 540.44 |
| Molecular Formula: | C24 H22 Br N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1c1ccccc1)Sc1c(cc(cn1)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6519 |
| logD: | 6.6519 |
| logSw: | -5.6491 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.537 |
| InChI Key: | URVWMIFPRKTGHU-UHFFFAOYSA-N |