4-iodo-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-iodo-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide
4-iodo-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2664 |
| Compound Name: | 4-iodo-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 413.19 |
| Molecular Formula: | C12 H8 I N5 O2 S |
| Smiles: | c1ccc2c(c1)C(N(C(=N2)S)NC(c1c(c[nH]n1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6516 |
| logD: | -4.8167 |
| logSw: | -2.2556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.412 |
| InChI Key: | INBBITKLYJKWOW-UHFFFAOYSA-N |