3-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
3-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-4469 |
| Compound Name: | 3-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 384.84 |
| Molecular Formula: | C18 H13 Cl N4 O2 S |
| Smiles: | C(n1cc(cn1)N1C(=Nc2ccccc2C1=O)S)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9035 |
| logD: | -1.8979 |
| logSw: | -3.7616 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.417 |
| InChI Key: | XSFVYCRXIXPIEY-UHFFFAOYSA-N |