2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine
Chemical Structure Depiction of
2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine
2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine
Compound characteristics
| Compound ID: | S400-0004 |
| Compound Name: | 2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine |
| Molecular Weight: | 293.3 |
| Molecular Formula: | C12 H11 N3 O4 S |
| Smiles: | Cc1ccccc1SC1=C(CC(=CN1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5567 |
| logD: | -0.5637 |
| logSw: | -2.5468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.76 |
| InChI Key: | SCNWSWWEWNXXLL-UHFFFAOYSA-N |