1,3-dimethyl-4-nitro-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1,3-dimethyl-4-nitro-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide
1,3-dimethyl-4-nitro-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-1757 |
| Compound Name: | 1,3-dimethyl-4-nitro-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 360.35 |
| Molecular Formula: | C14 H12 N6 O4 S |
| Smiles: | Cc1c(c(C(NN2C(=Nc3ccccc3C2=O)S)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.4215 |
| logD: | -5.6199 |
| logSw: | -2.3441 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.599 |
| InChI Key: | YILWNRMVIZJDEX-UHFFFAOYSA-N |