rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenoxy)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-[(4-fluorophenoxy)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenoxy)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-1524 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenoxy)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C29 H33 F N4 O4 |
| Smiles: | C1CCCN(C(COc2ccc(cc2)F)=O)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(Cc2ccccc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1852 |
| logD: | 4.1852 |
| logSw: | -4.1822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.242 |
| InChI Key: | QQAZRZNYMVYBOA-GPUOULLFSA-N |