2-amino-4'-bromo-7-(furan-2-yl)-5'-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-4'-bromo-7-(furan-2-yl)-5'-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-4'-bromo-7-(furan-2-yl)-5'-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0141 |
| Compound Name: | 2-amino-4'-bromo-7-(furan-2-yl)-5'-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
| Molecular Weight: | 466.29 |
| Molecular Formula: | C22 H16 Br N3 O4 |
| Smiles: | Cc1ccc2c(c1[Br])C1(C(C#N)=C(N)OC3CC(CC(C1=3)=O)c1ccco1)C(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3995 |
| logD: | 3.3961 |
| logSw: | -3.899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.153 |
| InChI Key: | HWXUFLJBXZLVHS-UHFFFAOYSA-N |