1-imino-3-oxo-4-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Chemical Structure Depiction of
1-imino-3-oxo-4-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
1-imino-3-oxo-4-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-8769 |
| Compound Name: | 1-imino-3-oxo-4-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H22 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2(C#N)C(NC(C2(C#N)C2CCCCC=2O1)=N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9933 |
| logD: | 1.9648 |
| logSw: | -2.7104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.402 |
| InChI Key: | YJZDSNSPFYOBTQ-UHFFFAOYSA-N |