methyl 4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
methyl 4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Compound characteristics
| Compound ID: | C090-0192 |
| Compound Name: | methyl 4-[(6-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate |
| Molecular Weight: | 598.58 |
| Molecular Formula: | C33 H25 F3 N4 O4 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2303 |
| logD: | 8.2303 |
| logSw: | -6.2036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.981 |
| InChI Key: | RIHQHOWICBEQIM-UHFFFAOYSA-N |