rel-(9aR,12aS)-1-[(3-methoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(3-methoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(3-methoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0165 |
| Compound Name: | rel-(9aR,12aS)-1-[(3-methoxyphenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C20 H30 N2 O2 |
| Smiles: | COc1cccc(CN2CCCCCCNC([C@@H]3CCC[C@H]23)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8386 |
| logD: | 0.5994 |
| logSw: | -3.1588 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.668 |
| InChI Key: | KPKNYINWMRQYTJ-MOPGFXCFSA-N |