2,3-bis(3,3-dimethyl-2-oxobutylidene)-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
Chemical Structure Depiction of
2,3-bis(3,3-dimethyl-2-oxobutylidene)-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
2,3-bis(3,3-dimethyl-2-oxobutylidene)-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1049 |
| Compound Name: | 2,3-bis(3,3-dimethyl-2-oxobutylidene)-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C21 H26 N2 O4 |
| Smiles: | CC(C)(C)C(/C=C1/C(=C/C(C(C)(C)C)=O)Nc2cc(ccc2N1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9404 |
| logD: | 3.046 |
| logSw: | -4.3851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.579 |
| InChI Key: | UMQMRLIEQQDBLU-UHFFFAOYSA-N |