3-{1-[(3-methoxyphenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-{1-[(3-methoxyphenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
3-{1-[(3-methoxyphenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-4461 |
| Compound Name: | 3-{1-[(3-methoxyphenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Smiles: | COc1cccc(Cn2cc(cn2)N2C(=Nc3ccccc3C2=O)S)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.1768 |
| logD: | -2.6246 |
| logSw: | -2.7937 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.987 |
| InChI Key: | KMFXVZRYCROYMD-UHFFFAOYSA-N |