2-amino-4-(3,4-dimethylphenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,4-dimethylphenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-4-(3,4-dimethylphenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 7954-5036 |
| Compound Name: | 2-amino-4-(3,4-dimethylphenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C18 H16 N2 O4 |
| Smiles: | Cc1ccc(cc1C)C1C(C#N)=C(N)OC2=C1OC(CO)=CC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8748 |
| logD: | 1.8748 |
| logSw: | -2.4112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.71 |
| InChI Key: | NEGCJPDSLIILRN-OAHLLOKOSA-N |