3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7661 |
| Compound Name: | 3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 524.56 |
| Molecular Formula: | C27 H23 F3 N4 O2 S |
| Smiles: | C(C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)c1ccc(cc1)N1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4954 |
| logD: | 4.4895 |
| logSw: | -4.3197 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.088 |
| InChI Key: | XDBUNXOVXQBCSF-UHFFFAOYSA-N |