5-nitro-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pyridine
Chemical Structure Depiction of
5-nitro-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pyridine
5-nitro-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pyridine
Compound characteristics
| Compound ID: | 8010-9002 |
| Compound Name: | 5-nitro-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pyridine |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C20 H15 N5 O3 S |
| Smiles: | C(c1nnc(n1c1ccccc1)Sc1ccc(cn1)[N+]([O-])=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9316 |
| logD: | 3.9316 |
| logSw: | -4.063 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.068 |
| InChI Key: | OZUBDKIROJPQGE-UHFFFAOYSA-N |