2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
Compound characteristics
| Compound ID: | 8010-9000 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine |
| Molecular Weight: | 409.85 |
| Molecular Formula: | C19 H12 Cl N5 O2 S |
| Smiles: | c1ccc(cc1)n1c(c2ccc(cc2)[Cl])nnc1Sc1ccc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1367 |
| logD: | 5.1367 |
| logSw: | -5.9738 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.592 |
| InChI Key: | FJKJMJANKNCURA-UHFFFAOYSA-N |