(2E,4E)-2,4-bis{[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene}-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Chemical Structure Depiction of
(2E,4E)-2,4-bis{[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene}-8-methyl-8-azabicyclo[3.2.1]octan-3-one
(2E,4E)-2,4-bis{[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene}-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Compound characteristics
| Compound ID: | C151-0882 |
| Compound Name: | (2E,4E)-2,4-bis{[3-ethoxy-4-(3-methylbutoxy)phenyl]methylidene}-8-methyl-8-azabicyclo[3.2.1]octan-3-one |
| Molecular Weight: | 575.79 |
| Molecular Formula: | C36 H49 N O5 |
| Smiles: | CCOc1cc(\C=C2/C3CCC(/C(=C\c4ccc(c(c4)OCC)OCCC(C)C)C2=O)N3C)ccc1OCCC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.9645 |
| logD: | 7.9607 |
| logSw: | -5.6419 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.892 |
| InChI Key: | PBUMNMGJAWIOGP-UHFFFAOYSA-N |