3-imino-9a-methyl-1-oxo-4-phenyl-2,3,7,8,9,9a-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Chemical Structure Depiction of
3-imino-9a-methyl-1-oxo-4-phenyl-2,3,7,8,9,9a-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
3-imino-9a-methyl-1-oxo-4-phenyl-2,3,7,8,9,9a-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-8040 |
| Compound Name: | 3-imino-9a-methyl-1-oxo-4-phenyl-2,3,7,8,9,9a-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C20 H18 N4 O2 |
| Smiles: | CC12CCCC=C1OC(c1ccccc1)C1(C#N)C(=N)NC(C12C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7361 |
| logD: | 2.716 |
| logSw: | -3.0321 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.447 |
| InChI Key: | SFYZHWLCNPHQBX-UHFFFAOYSA-N |