3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0318 |
| Compound Name: | 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C20 H19 F N4 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(c2ccccc2NC1=S)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.5794 |
| logD: | 2.5788 |
| logSw: | -3.3217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.971 |
| InChI Key: | DPEZRPRVDUOXTR-UHFFFAOYSA-N |