2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y509-0844 |
| Compound Name: | 2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C24 H24 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(COc3ccc(cc3)OC)o2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4629 |
| logD: | 3.4629 |
| logSw: | -3.7579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.215 |
| InChI Key: | XYUFKFLPDNPSLO-NRFANRHFSA-N |