2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Chemical Structure Depiction of
2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Compound characteristics
| Compound ID: | V006-1857 |
| Compound Name: | 2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C20 H15 N5 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccn1)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1205 |
| logD: | 4.1184 |
| logSw: | -4.4567 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.637 |
| InChI Key: | NFWDPZBOGUTGPF-UHFFFAOYSA-N |