rel-(9aR,12aS)-dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0078 |
| Compound Name: | rel-(9aR,12aS)-dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 210.32 |
| Molecular Formula: | C12 H22 N2 O |
| Smiles: | [H]N1CCCCCCNC([C@@H]2CCC[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6013 |
| logD: | -2.051 |
| logSw: | -1.2472 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.297 |
| InChI Key: | BMWVYXFGEQCOFA-MNOVXSKESA-N |