3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061141 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 544.98 |
| Molecular Formula: | C26 H20 Cl F3 N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8303 |
| logD: | 4.8263 |
| logSw: | -5.0274 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.314 |
| InChI Key: | ZBCYGEFEBAEWJG-UHFFFAOYSA-N |