3-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0441 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C18 H17 F N2 O3 S |
| Smiles: | COc1ccc(CCN2C(c3cc(ccc3NC2=S)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2632 |
| logD: | 3.0961 |
| logSw: | -3.513 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.557 |
| InChI Key: | GHRUYIAQPOFZPY-UHFFFAOYSA-N |