rel-(9aR,11R,12aS)-N-[(4-methylphenyl)methyl]-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-N-[(4-methylphenyl)methyl]-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,11R,12aS)-N-[(4-methylphenyl)methyl]-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S763-0517 |
| Compound Name: | rel-(9aR,11R,12aS)-N-[(4-methylphenyl)methyl]-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 502.62 |
| Molecular Formula: | C28 H34 N6 O3 |
| Smiles: | Cc1ccc(CNC(N2CCCCCCNC([C@@H]3C[C@H](C[C@H]23)c2nc(c3cccnc3)no2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.715 |
| logD: | 3.0763 |
| logSw: | -3.64 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.941 |
| InChI Key: | WENABMCYPFUIRX-VXNXHJTFSA-N |