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 |