4-chloro-1,3-dimethyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-1,3-dimethyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide
4-chloro-1,3-dimethyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-1753 |
| Compound Name: | 4-chloro-1,3-dimethyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 349.8 |
| Molecular Formula: | C14 H12 Cl N5 O2 S |
| Smiles: | Cc1c(c(C(NN2C(=Nc3ccccc3C2=O)S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.3015 |
| logD: | -4.8969 |
| logSw: | -3.0373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.819 |
| InChI Key: | UENYWAZWBRPDGV-UHFFFAOYSA-N |