5-(4-methoxyanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(4-methoxyanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(4-methoxyanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
Compound ID: | C090-0190 |
Compound Name: | 5-(4-methoxyanilino)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
Molecular Weight: | 570.57 |
Molecular Formula: | C32 H25 F3 N4 O3 |
Smiles: | COc1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 8.1219 |
logD: | 8.1219 |
logSw: | -6.174 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.351 |
InChI Key: | SLLMVWUQCGLOLS-UHFFFAOYSA-N |