3-imino-1-oxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Chemical Structure Depiction of
3-imino-1-oxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
3-imino-1-oxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7804 |
| Compound Name: | 3-imino-1-oxo-4-phenyl-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C19 H16 N4 O2 |
| Smiles: | C1CCC2=C(C1)C1(C#N)C(NC(C1(C#N)C(c1ccccc1)O2)=N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3072 |
| logD: | 2.2994 |
| logSw: | -2.8369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.425 |
| InChI Key: | CZTPWQSTQHNKBF-UHFFFAOYSA-N |