4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | Y502-1768 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide |
| Molecular Weight: | 456.32 |
| Molecular Formula: | C19 H14 Br N5 O2 S |
| Smiles: | C(c1ccc(cc1)C(NN1C(=Nc2ccccc2C1=O)S)=O)n1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6858 |
| logD: | -3.8483 |
| logSw: | -2.5761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.456 |
| InChI Key: | SGEMPDPPVASFKB-UHFFFAOYSA-N |