3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
Chemical Structure Depiction of
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-4132 |
| Compound Name: | 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C17 H18 N6 O4 S |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[N+]([O-])=O)C(NN1C(=Nc2ccccc2C1=O)S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4476 |
| logD: | -5.3791 |
| logSw: | -2.2781 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.283 |
| InChI Key: | HCZXQKCEWPTGDE-VIFPVBQESA-N |