rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(4-methyl-1,3-oxazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(4-methyl-1,3-oxazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(4-methyl-1,3-oxazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-1548 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(4-methyl-1,3-oxazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C26 H31 N5 O4 |
| Smiles: | Cc1c(C(N2CCCCCCNC([C@@H]3C[C@H](C[C@H]23)c2nc(Cc3ccccc3)no2)=O)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9761 |
| logD: | 2.9761 |
| logSw: | -3.1526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.185 |
| InChI Key: | ZNESGNWCJXIKQX-HBMCJLEFSA-N |