methyl (2-amino-3-cyano-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-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl)acetate
methyl (2-amino-3-cyano-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl)acetate
Compound characteristics
| Compound ID: | 5066-0203 |
| Compound Name: | methyl (2-amino-3-cyano-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl)acetate |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H17 N3 O5 |
| Smiles: | COC(CN1C(C2(C(C#N)=C(N)OC3CCCC(C2=3)=O)c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.819 |
| logD: | 0.819 |
| logSw: | -2.1921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.921 |
| InChI Key: | XHHKBFRVDFSVAZ-HXUWFJFHSA-N |