1-imino-5a-methoxy-4-methyl-3-oxooctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Chemical Structure Depiction of
1-imino-5a-methoxy-4-methyl-3-oxooctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
1-imino-5a-methoxy-4-methyl-3-oxooctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-8308 |
| Compound Name: | 1-imino-5a-methoxy-4-methyl-3-oxooctahydro[1]benzopyrano[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | CC1C2(C#N)C(NC(C2(C#N)C2CCCCC2(OC)O1)=N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2252 |
| logD: | 1.2251 |
| logSw: | -1.8728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.103 |
| InChI Key: | XNSHDJIQIFEJFJ-UHFFFAOYSA-N |