2-amino-6-(hydroxymethyl)-4-(3-methylphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-(hydroxymethyl)-4-(3-methylphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-6-(hydroxymethyl)-4-(3-methylphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-1652 |
| Compound Name: | 2-amino-6-(hydroxymethyl)-4-(3-methylphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 310.31 |
| Molecular Formula: | C17 H14 N2 O4 |
| Smiles: | Cc1cccc(c1)C1C(C#N)=C(N)OC2=C1OC(CO)=CC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3464 |
| logD: | 1.3464 |
| logSw: | -1.7356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.71 |
| InChI Key: | FTMHERZVKGSVBZ-CQSZACIVSA-N |