rel-(8aR,11aS)-1-[(3-fluorophenyl)acetyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-[(3-fluorophenyl)acetyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
rel-(8aR,11aS)-1-[(3-fluorophenyl)acetyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S798-0023 |
| Compound Name: | rel-(8aR,11aS)-1-[(3-fluorophenyl)acetyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C18 H23 F N2 O3 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCN2C(Cc1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.344 |
| logD: | 1.344 |
| logSw: | -2.0672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.255 |
| InChI Key: | ARTIHSCQHGEDLP-CVEARBPZSA-N |