rel-(9aR,12aS)-8-methyl-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0332 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C20 H29 N3 O2 |
| Smiles: | CN1CCCCCCN(C(Cc2cccnc2)=O)[C@@H]2CCC[C@@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3436 |
| logD: | 1.3351 |
| logSw: | -1.599 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.197 |
| InChI Key: | NXVVNHOUNFTPGA-MSOLQXFVSA-N |