6-amino-5-cyano-4-(1-ethylpyridin-1-ium-4-yl)-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
6-amino-5-cyano-4-(1-ethylpyridin-1-ium-4-yl)-2-methyl-4H-pyran-3-carboxylate
6-amino-5-cyano-4-(1-ethylpyridin-1-ium-4-yl)-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8001-1626 |
| Compound Name: | 6-amino-5-cyano-4-(1-ethylpyridin-1-ium-4-yl)-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C15 H15 N3 O3 |
| Smiles: | CC[n+]1ccc(cc1)C1C(C#N)=C(N)OC(C)=C1C([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4792 |
| logD: | 0.4792 |
| logSw: | -1.4165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.89 |
| InChI Key: | WSOFTLHHZMYVCE-CYBMUJFWSA-N |