methyl [2-amino-3-cyano-7-(furan-2-yl)-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetate
Chemical Structure Depiction of
methyl [2-amino-3-cyano-7-(furan-2-yl)-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetate
methyl [2-amino-3-cyano-7-(furan-2-yl)-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetate
Compound characteristics
| Compound ID: | 8012-3275 |
| Compound Name: | methyl [2-amino-3-cyano-7-(furan-2-yl)-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C24 H19 N3 O6 |
| Smiles: | COC(CN1C(C2(C(C#N)=C(N)OC3CC(CC(C2=3)=O)c2ccco2)c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8535 |
| logD: | 1.8535 |
| logSw: | -2.7181 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.228 |
| InChI Key: | APEJYNASHRBKPL-UHFFFAOYSA-N |