3'-amino-5-bromo-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-5-bromo-2-oxo-1,2,6',7',8',8'a-hexahydro-2'H-spiro[indole-3,1'-naphthalene]-2',2',4'-tricarbonitrile
3'-amino-5-bromo-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: | Y508-2096 |
| Compound Name: | 3'-amino-5-bromo-2-oxo-1,2,6',7',8',8'a-hexahydro-2'H-spiro[indole-3,1'-naphthalene]-2',2',4'-tricarbonitrile |
| Molecular Weight: | 420.27 |
| Molecular Formula: | C20 H14 Br N5 O |
| Smiles: | C1CC=C2C(C1)C1(C(Nc3ccc(cc13)[Br])=O)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3498 |
| logD: | 3.3488 |
| logSw: | -3.7789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.599 |
| InChI Key: | HXTPRPHSPNDIKK-UHFFFAOYSA-N |