3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]quinazoline-2,4(1H,3H)-dione
3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | K221-3289 |
| Compound Name: | 3-[4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)phenyl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 508.5 |
| Molecular Formula: | C27 H23 F3 N4 O3 |
| Smiles: | C(C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)c1ccc(cc1)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9712 |
| logD: | 3.9669 |
| logSw: | -4.2483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.25 |
| InChI Key: | JKFYVRRQEOLZSE-UHFFFAOYSA-N |