6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)quinazoline-2,4(1H,3H)-dione
6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C191-0165 |
| Compound Name: | 6,7-dimethoxy-3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 520.51 |
| Molecular Formula: | C25 H27 F3 N4 O5 |
| Smiles: | COc1cc2C(N(CCCC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)C(Nc2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7042 |
| logD: | 2.688 |
| logSw: | -3.3392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.372 |
| InChI Key: | ZNTUNNSNDOERHS-UHFFFAOYSA-N |