rel-(9aR,12aS)-1-[(3-fluoro-2-hydroxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(3-fluoro-2-hydroxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(3-fluoro-2-hydroxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0180 |
| Compound Name: | rel-(9aR,12aS)-1-[(3-fluoro-2-hydroxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 334.43 |
| Molecular Formula: | C19 H27 F N2 O2 |
| Smiles: | C1CCCN(Cc2cccc(c2O)F)[C@H]2CCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8648 |
| logD: | 2.4263 |
| logSw: | -3.0214 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.603 |
| InChI Key: | JSWNSLQDROHOIJ-WBVHZDCISA-N |