3-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0711 |
| Compound Name: | 3-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C25 H21 F N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.5659 |
| logD: | 3.5601 |
| logSw: | -3.8698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.615 |
| InChI Key: | HIMZVHQHNADRIT-UHFFFAOYSA-N |