3'-amino-1-methyl-2-oxo-1,2,6',7',8',8'a-hexahydro-2'H-spiro[indole-3,1'-naphthalene]-2',2',4'-tricarbonitrile
Chemical Structure Depiction of
3'-amino-1-methyl-2-oxo-1,2,6',7',8',8'a-hexahydro-2'H-spiro[indole-3,1'-naphthalene]-2',2',4'-tricarbonitrile
3'-amino-1-methyl-2-oxo-1,2,6',7',8',8'a-hexahydro-2'H-spiro[indole-3,1'-naphthalene]-2',2',4'-tricarbonitrile
Compound characteristics
| Compound ID: | 5066-0310 |
| Compound Name: | 3'-amino-1-methyl-2-oxo-1,2,6',7',8',8'a-hexahydro-2'H-spiro[indole-3,1'-naphthalene]-2',2',4'-tricarbonitrile |
| Molecular Weight: | 355.4 |
| Molecular Formula: | C21 H17 N5 O |
| Smiles: | CN1C(C2(C3CCCC=C3C(C#N)=C(C2(C#N)C#N)N)c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2899 |
| logD: | 2.2894 |
| logSw: | -2.7979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.861 |
| InChI Key: | ZZDLIHXGIYUXEB-UHFFFAOYSA-N |