2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
Compound characteristics
| Compound ID: | 8008-8299 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)Sc1ccc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1644 |
| logD: | 4.1644 |
| logSw: | -4.4145 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.853 |
| InChI Key: | LAIALCNKOWSGNC-UHFFFAOYSA-N |