3-imino-1-oxo-4-phenyl-2,3,7,8,9,10-hexahydro-1H-cyclohepta[5,6]pyrano[3,4-c]pyrrole-3a,10b(4H,6H)-dicarbonitrile
Chemical Structure Depiction of
3-imino-1-oxo-4-phenyl-2,3,7,8,9,10-hexahydro-1H-cyclohepta[5,6]pyrano[3,4-c]pyrrole-3a,10b(4H,6H)-dicarbonitrile
3-imino-1-oxo-4-phenyl-2,3,7,8,9,10-hexahydro-1H-cyclohepta[5,6]pyrano[3,4-c]pyrrole-3a,10b(4H,6H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7862 |
| Compound Name: | 3-imino-1-oxo-4-phenyl-2,3,7,8,9,10-hexahydro-1H-cyclohepta[5,6]pyrano[3,4-c]pyrrole-3a,10b(4H,6H)-dicarbonitrile |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C20 H18 N4 O2 |
| Smiles: | C1CCC2=C(CC1)OC(c1ccccc1)C1(C#N)C(=N)NC(C12C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8031 |
| logD: | 2.7953 |
| logSw: | -3.1806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.756 |
| InChI Key: | MZOHOKKQMJOREC-UHFFFAOYSA-N |