4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoic 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]benzoic acid
4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | C090-0456 |
| Compound Name: | 4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoic acid |
| Molecular Weight: | 584.55 |
| Molecular Formula: | C32 H23 F3 N4 O4 |
| Smiles: | C1CN(CCN1c1cccc(c1)C(F)(F)F)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9877 |
| logD: | 5.5925 |
| logSw: | -6.2543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.215 |
| InChI Key: | LIKKMDZHZDRFOL-UHFFFAOYSA-N |