rel-(9aR,11R,12aS)-1-[(4-fluorophenoxy)acetyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-1-[(4-fluorophenoxy)acetyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-[(4-fluorophenoxy)acetyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0337 |
| Compound Name: | rel-(9aR,11R,12aS)-1-[(4-fluorophenoxy)acetyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C27 H30 F N5 O4 |
| Smiles: | C1CCCN(C(COc2ccc(cc2)F)=O)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1902 |
| logD: | 2.5515 |
| logSw: | -3.0256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.769 |
| InChI Key: | BLQWKJDXXRLIGN-PMOQBDJRSA-N |