2-amino-4-(4-butoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-butoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(4-butoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3931-3428 |
| Compound Name: | 2-amino-4-(4-butoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | CCCCOc1ccc(cc1)C1C(C#N)=C(N)OC2C=C(C)OC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0795 |
| logD: | 3.0795 |
| logSw: | -3.1938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.306 |
| InChI Key: | GHEBQEPGZGYBCQ-QGZVFWFLSA-N |