3,3-dimethyl-4-(6-methyl-4-oxo-4lambda~5~-quinoxalin-2-yl)butanoic acid
Chemical Structure Depiction of
3,3-dimethyl-4-(6-methyl-4-oxo-4lambda~5~-quinoxalin-2-yl)butanoic acid
3,3-dimethyl-4-(6-methyl-4-oxo-4lambda~5~-quinoxalin-2-yl)butanoic acid
Compound characteristics
| Compound ID: | 8017-3580 |
| Compound Name: | 3,3-dimethyl-4-(6-methyl-4-oxo-4lambda~5~-quinoxalin-2-yl)butanoic acid |
| Molecular Weight: | 274.32 |
| Molecular Formula: | C15 H18 N2 O3 |
| Smiles: | Cc1ccc2c(c1)[n+](cc(CC(C)(C)CC(O)=O)n2)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.4523 |
| logD: | -0.151 |
| logSw: | -2.2706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.875 |
| InChI Key: | XVRHQBFEKZDBLU-UHFFFAOYSA-N |