3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl furan-2-carboxylate
Chemical Structure Depiction of
3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl furan-2-carboxylate
3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl furan-2-carboxylate
Compound characteristics
| Compound ID: | 3448-7902 |
| Compound Name: | 3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl furan-2-carboxylate |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cccc(c2)OC(c2ccco2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.529 |
| logD: | 2.529 |
| logSw: | -2.8055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.558 |
| InChI Key: | CJOQYRXJPFRDDA-LJQANCHMSA-N |