4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl acetate
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 3448-3882 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C20 H20 N2 O6 |
| Smiles: | CC(=O)Oc1c(cc(cc1OC)C1C(C#N)=C(N)OC2CCCC(C1=2)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2649 |
| logD: | 1.2649 |
| logSw: | -1.8763 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.787 |
| InChI Key: | ROUKRBINZSGSEL-QGZVFWFLSA-N |