1,3-dioxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Chemical Structure Depiction of
1,3-dioxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
1,3-dioxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7864 |
| Compound Name: | 1,3-dioxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C19 H15 N3 O3 |
| Smiles: | C1CCC2=C(C1)C1(C#N)C(NC(C1(C#N)C(c1ccccc1)O2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2667 |
| logD: | 1.8846 |
| logSw: | -2.8046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.509 |
| InChI Key: | IYSNUIRHZVZNJJ-UHFFFAOYSA-N |