3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | Y502-2699 |
| Compound Name: | 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(NN2C(=Nc3ccccc3C2=O)S)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.837 |
| logD: | -3.6971 |
| logSw: | -3.422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.232 |
| InChI Key: | XAXPLZCVHGCWOJ-UHFFFAOYSA-N |