5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0183 |
| Compound Name: | 5-(3-fluoroanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 558.54 |
| Molecular Formula: | C31 H22 F4 N4 O2 |
| Smiles: | C1CN(CCN1c1cccc(c1)C(F)(F)F)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 8.2929 |
| logD: | 8.2929 |
| logSw: | -6.5404 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.807 |
| InChI Key: | XRFDJICGWFTWIX-UHFFFAOYSA-N |