rel-(9aR,12aS)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0393 |
| Compound Name: | rel-(9aR,12aS)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C24 H33 N3 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3CCCCCCN(C)C([C@@H]4CCC[C@H]34)=O)=O)o2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9487 |
| logD: | 2.9487 |
| logSw: | -3.1941 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.815 |
| InChI Key: | BKZAZANJEFIVHJ-CTNGQTDRSA-N |