2-amino-6-(hydroxymethyl)-8-oxo-4-{4-[(trifluoromethyl)sulfanyl]phenyl}-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-(hydroxymethyl)-8-oxo-4-{4-[(trifluoromethyl)sulfanyl]phenyl}-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-6-(hydroxymethyl)-8-oxo-4-{4-[(trifluoromethyl)sulfanyl]phenyl}-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 7954-4277 |
| Compound Name: | 2-amino-6-(hydroxymethyl)-8-oxo-4-{4-[(trifluoromethyl)sulfanyl]phenyl}-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 396.34 |
| Molecular Formula: | C17 H11 F3 N2 O4 S |
| Smiles: | C(C1=CC(C2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)SC(F)(F)F)O1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6461 |
| logD: | 2.6461 |
| logSw: | -3.1407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.71 |
| InChI Key: | RXRKWTUAXHCMPA-ZDUSSCGKSA-N |