3-nitrophenyl 2-{[(2-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-{[(2-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate
3-nitrophenyl 2-{[(2-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3798 |
| Compound Name: | 3-nitrophenyl 2-{[(2-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C20 H16 N2 O4 S |
| Smiles: | Cc1ccccc1CSc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2662 |
| logD: | 5.2662 |
| logSw: | -5.2199 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.905 |
| InChI Key: | NASAXPSYDPFCNW-UHFFFAOYSA-N |