rel-(9aR,12aS)-8-methyl-1-[(pyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-[(pyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-[(pyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
Compound ID: | S732-0466 |
Compound Name: | rel-(9aR,12aS)-8-methyl-1-[(pyridin-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
Molecular Weight: | 315.46 |
Molecular Formula: | C19 H29 N3 O |
Smiles: | CN1CCCCCCN(Cc2ccccn2)[C@H]2CCC[C@H]2C1=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.7939 |
logD: | 1.5778 |
logSw: | -2.5929 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 30 |
InChI Key: | IYJOMYXXRMSZDL-MSOLQXFVSA-N |