rel-(9aR,12aS)-8-methyl-1-(quinoline-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-(quinoline-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-(quinoline-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0321 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-(quinoline-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C23 H29 N3 O2 |
| Smiles: | CN1CCCCCCN(C(c2ccc3ccccc3n2)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0617 |
| logD: | 3.0617 |
| logSw: | -3.435 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.538 |
| InChI Key: | YHFPHXDYPMUXMS-NQIIRXRSSA-N |