2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
Chemical Structure Depiction of
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
Compound characteristics
| Compound ID: | 8009-9977 |
| Compound Name: | 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C24 H23 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1c1ccccc1)Sc1ccc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7546 |
| logD: | 5.7546 |
| logSw: | -5.5385 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.068 |
| InChI Key: | YFPYLPGHKFDPSY-UHFFFAOYSA-N |