rel-(9aR,12aS)-1-[(4-fluorophenoxy)acetyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(4-fluorophenoxy)acetyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(4-fluorophenoxy)acetyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0323 |
| Compound Name: | rel-(9aR,12aS)-1-[(4-fluorophenoxy)acetyl]-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 376.47 |
| Molecular Formula: | C21 H29 F N2 O3 |
| Smiles: | CN1CCCCCCN(C(COc2ccc(cc2)F)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3733 |
| logD: | 2.3733 |
| logSw: | -2.7514 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.179 |
| InChI Key: | JQZFVALCEKBWDP-MOPGFXCFSA-N |