3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | Y502-3480 |
| Compound Name: | 3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1cc(C)n(Cc2cccc(c2)C(NN2C(=Nc3ccccc3C2=O)S)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.0415 |
| logD: | -4.4926 |
| logSw: | -2.3674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.685 |
| InChI Key: | ADWDMQHDZZJXRG-UHFFFAOYSA-N |