3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
Chemical Structure Depiction of
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y502-2705 |
| Compound Name: | 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)propanamide |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C16 H14 F3 N5 O2 S |
| Smiles: | Cc1cc(C(F)(F)F)nn1CCC(NN1C(=Nc2ccccc2C1=O)S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8622 |
| logD: | -4.9645 |
| logSw: | -2.2862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.915 |
| InChI Key: | BKCLRQIZEHUGDN-UHFFFAOYSA-N |