7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1816 |
| Compound Name: | 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C24 H25 F N4 O3 S |
| Smiles: | C1CC(CN2C(c3ccc(cc3NC2=S)C(N2CCN(CC2)c2ccc(cc2)F)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6357 |
| logD: | 2.6351 |
| logSw: | -3.2457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.881 |
| InChI Key: | WXJONMFFYDYMDV-LJQANCHMSA-N |