3-[2-(4-chlorophenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(4-chlorophenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0433 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-6-fluoro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C16 H12 Cl F N2 O S |
| Smiles: | C(CN1C(c2cc(ccc2NC1=S)F)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3408 |
| logD: | 4.1738 |
| logSw: | -4.6255 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2963 |
| InChI Key: | XJOYSGHFWIIJLH-UHFFFAOYSA-N |