2-amino-5'-bromo-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-5'-bromo-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-5'-bromo-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0235 |
| Compound Name: | 2-amino-5'-bromo-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C21 H14 Br N3 O4 |
| Smiles: | C1C(CC(C2=C1OC(=C(C#N)C21C(Nc2ccc(cc12)[Br])=O)N)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1347 |
| logD: | 3.1326 |
| logSw: | -3.5735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.153 |
| InChI Key: | IFXHMSJGHOIQPQ-UHFFFAOYSA-N |