benzyl (2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl)acetate
Chemical Structure Depiction of
benzyl (2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl)acetate
benzyl (2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl)acetate
Compound characteristics
| Compound ID: | 5066-0306 |
| Compound Name: | benzyl (2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl)acetate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C28 H25 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N)O2)C(N(CC(=O)OCc2ccccc2)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2233 |
| logD: | 3.2233 |
| logSw: | -3.8684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.605 |
| InChI Key: | ZSVGDLZLYJVNJV-MUUNZHRXSA-N |