rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(6-methylpyridine-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-methylpyridine-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-methylpyridine-3-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-1528 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(6-methylpyridine-3-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C28 H33 N5 O3 |
| Smiles: | Cc1ccc(cn1)C(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(Cc2ccccc2)no1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7044 |
| logD: | 3.7043 |
| logSw: | -3.7643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.214 |
| InChI Key: | HTAMTDPQFFHYDQ-VXNXHJTFSA-N |