2-amino-1'-ethyl-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-1'-ethyl-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-1'-ethyl-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
Compound ID: | 8015-4033 |
Compound Name: | 2-amino-1'-ethyl-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
Molecular Weight: | 349.39 |
Molecular Formula: | C20 H19 N3 O3 |
Smiles: | CCN1C(C2(C(C#N)=C(N)OC3CC(C)CC(C2=3)=O)c2ccccc12)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.4313 |
logD: | 2.4313 |
logSw: | -3.0398 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.067 |
InChI Key: | AZXBKNGEIZGIDU-UHFFFAOYSA-N |