rel-(9aR,12aS)-1-[(3-fluorophenyl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(3-fluorophenyl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(3-fluorophenyl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0023 |
| Compound Name: | rel-(9aR,12aS)-1-[(3-fluorophenyl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 346.44 |
| Molecular Formula: | C20 H27 F N2 O2 |
| Smiles: | C1CCCN(C(Cc2cccc(c2)F)=O)[C@H]2CCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6355 |
| logD: | 2.6355 |
| logSw: | -2.8557 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.347 |
| InChI Key: | NQPGCJSDXUGUHT-MSOLQXFVSA-N |