rel-(9aR,12aS)-N-[(4-methylphenyl)methyl]-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-[(4-methylphenyl)methyl]-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
rel-(9aR,12aS)-N-[(4-methylphenyl)methyl]-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
Compound characteristics
| Compound ID: | S795-0219 |
| Compound Name: | rel-(9aR,12aS)-N-[(4-methylphenyl)methyl]-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | Cc1ccc(CNC(N2CCCOCCNC([C@@H]3CCC[C@H]23)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5492 |
| logD: | 1.5492 |
| logSw: | -2.275 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.925 |
| InChI Key: | OKYUPEUAKUEEOD-MSOLQXFVSA-N |