methyl 3-({4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carbonyl}amino)benzoate
methyl 3-({4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | F070-1218 |
| Compound Name: | methyl 3-({4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 459.43 |
| Molecular Formula: | C22 H20 F3 N5 O3 |
| Smiles: | [H]c1cc2c(cc1[H])nc(c(C(F)(F)F)n2)N1CCN(CC1)C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4847 |
| logD: | 4.4847 |
| logSw: | -4.3416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.778 |
| InChI Key: | BRBRQXXSNNRIQW-UHFFFAOYSA-N |