1-methyl-4-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-methyl-4-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxylic acid
1-methyl-4-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y500-4303 |
| Compound Name: | 1-methyl-4-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 302.31 |
| Molecular Formula: | C13 H10 N4 O3 S |
| Smiles: | Cn1cc(c(C(O)=O)n1)N1C(=Nc2ccccc2C1=O)S |
| Stereo: | ACHIRAL |
| logP: | -0.3346 |
| logD: | -5.6457 |
| logSw: | -2.0026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.4 |
| InChI Key: | UWDUUBXZCVPGSK-UHFFFAOYSA-N |