3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-4187 |
| Compound Name: | 3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C18 H13 F N4 O S |
| Smiles: | C(c1ccc(cc1)F)n1cc(cn1)N1C(=Nc2ccccc2C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 2.1505 |
| logD: | -2.6509 |
| logSw: | -2.718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.443 |
| InChI Key: | YNABGAFIEAMEHZ-UHFFFAOYSA-N |