4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]butanoic acid
Chemical Structure Depiction of
4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]butanoic acid
4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]butanoic acid
Compound characteristics
| Compound ID: | C090-0495 |
| Compound Name: | 4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]butanoic acid |
| Molecular Weight: | 550.54 |
| Molecular Formula: | C29 H25 F3 N4 O4 |
| Smiles: | C(CC(O)=O)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.576 |
| logD: | 2.7552 |
| logSw: | -5.9564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.626 |
| InChI Key: | PLUHBWRFKPVAMI-UHFFFAOYSA-N |