2-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)acetamide
Chemical Structure Depiction of
2-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)acetamide
2-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | Y500-4134 |
| Compound Name: | 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)acetamide |
| Molecular Weight: | 360.35 |
| Molecular Formula: | C14 H12 N6 O4 S |
| Smiles: | Cc1c(cn(CC(NN2C(=Nc3ccccc3C2=O)S)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.2747 |
| logD: | -6.1015 |
| logSw: | -2.3307 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.947 |
| InChI Key: | HFVWNHHRAAOULJ-UHFFFAOYSA-N |