methyl 4-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]butanamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]butanamido}benzoate
methyl 4-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | F069-0693 |
| Compound Name: | methyl 4-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]butanamido}benzoate |
| Molecular Weight: | 461.44 |
| Molecular Formula: | C23 H22 F3 N3 O4 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OC)=O)N1C(C(C(F)(F)F)=Nc2cc(C)c(C)cc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4579 |
| logD: | 4.4576 |
| logSw: | -4.3416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.912 |
| InChI Key: | PBUCSWZOMCGJAD-KRWDZBQOSA-N |