rel-(9aR,12aS)-1-[(2-ethoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(2-ethoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(2-ethoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0151 |
| Compound Name: | rel-(9aR,12aS)-1-[(2-ethoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 344.5 |
| Molecular Formula: | C21 H32 N2 O2 |
| Smiles: | CCOc1ccccc1CN1CCCCCCNC([C@@H]2CCC[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.257 |
| logD: | 1.7132 |
| logSw: | -3.1948 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.334 |
| InChI Key: | WDGCYKDPHVWRBF-MOPGFXCFSA-N |