3-imino-5a-methoxy-1-oxo-4-phenyloctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Chemical Structure Depiction of
3-imino-5a-methoxy-1-oxo-4-phenyloctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
3-imino-5a-methoxy-1-oxo-4-phenyloctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7805 |
| Compound Name: | 3-imino-5a-methoxy-1-oxo-4-phenyloctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | COC12CCCCC1C1(C#N)C(NC(C1(C#N)C(c1ccccc1)O2)=N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4122 |
| logD: | 2.4089 |
| logSw: | -2.8295 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.784 |
| InChI Key: | BHFZTHMVTUOTMP-UHFFFAOYSA-N |