rel-(9aR,12aS)-1-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0182 |
| Compound Name: | rel-(9aR,12aS)-1-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 331.46 |
| Molecular Formula: | C19 H29 N3 O2 |
| Smiles: | COc1cccc(CN2CCCCCCNC([C@@H]3CCC[C@H]23)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4709 |
| logD: | 0.9374 |
| logSw: | -2.762 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.679 |
| InChI Key: | DVJYZXRRNXVFNM-SJORKVTESA-N |