rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)acetyl]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-[(3-methoxyphenyl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-1499 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C30 H36 N4 O4 |
| Smiles: | COc1cccc(CC(N2CCCCCCNC([C@@H]3C[C@H](C[C@H]23)c2nc(Cc3ccccc3)no2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5439 |
| logD: | 4.5439 |
| logSw: | -4.2793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.287 |
| InChI Key: | QAQJKRPQEFTQHO-DMDYGQEQSA-N |