2-amino-6-(hydroxymethyl)-4-[4-(methylsulfanyl)phenyl]-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-(hydroxymethyl)-4-[4-(methylsulfanyl)phenyl]-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-6-(hydroxymethyl)-4-[4-(methylsulfanyl)phenyl]-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-1512 |
| Compound Name: | 2-amino-6-(hydroxymethyl)-4-[4-(methylsulfanyl)phenyl]-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C17 H14 N2 O4 S |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)OC2=C1OC(CO)=CC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5354 |
| logD: | 1.5354 |
| logSw: | -2.0909 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.71 |
| InChI Key: | HVXSXZNJXTURRO-AWEZNQCLSA-N |