ethyl rel-(9aR,11R,12aS)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxylate
Chemical Structure Depiction of
ethyl rel-(9aR,11R,12aS)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxylate
ethyl rel-(9aR,11R,12aS)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxylate
Compound characteristics
| Compound ID: | S746-0021 |
| Compound Name: | ethyl rel-(9aR,11R,12aS)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxylate |
| Molecular Weight: | 282.38 |
| Molecular Formula: | C15 H26 N2 O3 |
| Smiles: | CCOC([C@H]1C[C@H]2[C@@H](C1)C(NCCCCCCN2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9081 |
| logD: | -1.5667 |
| logSw: | -1.7456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.05 |
| InChI Key: | PQLRIMAJLGCXIT-XQQFMLRXSA-N |