rel-(9aR,13aS)-1-[(3-fluorophenyl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-[(3-fluorophenyl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-[(3-fluorophenyl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0023 |
| Compound Name: | rel-(9aR,13aS)-1-[(3-fluorophenyl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 360.47 |
| Molecular Formula: | C21 H29 F N2 O2 |
| Smiles: | C1CCCN(C(Cc2cccc(c2)F)=O)[C@H]2CCCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1811 |
| logD: | 3.1811 |
| logSw: | -3.1644 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.981 |
| InChI Key: | MKCIGMPRXOFRDR-MOPGFXCFSA-N |