3-(4-fluorophenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(4-fluorophenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061061 |
| Compound Name: | 3-(4-fluorophenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C25 H21 F N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4801 |
| logD: | 3.4774 |
| logSw: | -3.8607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.615 |
| InChI Key: | GURMWEGFCIEXKK-UHFFFAOYSA-N |