rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(6-methoxypyridine-3-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-(6-methoxypyridine-3-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(6-methoxypyridine-3-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-1539 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(6-methoxypyridine-3-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C28 H33 N5 O4 |
| Smiles: | COc1ccc(cn1)C(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(Cc2ccccc2)no1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8238 |
| logD: | 3.8237 |
| logSw: | -3.8949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.852 |
| InChI Key: | DMGAGQMAGWTYKQ-ZRBLBEILSA-N |