4-iodo-1-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-iodo-1-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide
4-iodo-1-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-1754 |
| Compound Name: | 4-iodo-1-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 427.22 |
| Molecular Formula: | C13 H10 I N5 O2 S |
| Smiles: | Cn1cc(c(C(NN2C(=Nc3ccccc3C2=O)S)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 0.3822 |
| logD: | -5.0861 |
| logSw: | -2.138 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.306 |
| InChI Key: | YLTIDXUQIVHQET-UHFFFAOYSA-N |