rel-(9aR,12aS)-9-oxo-N-propyldodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-9-oxo-N-propyldodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,12aS)-9-oxo-N-propyldodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S732-0216 |
| Compound Name: | rel-(9aR,12aS)-9-oxo-N-propyldodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 295.42 |
| Molecular Formula: | C16 H29 N3 O2 |
| Smiles: | CCCNC(N1CCCCCCNC([C@@H]2CCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0202 |
| logD: | 2.0202 |
| logSw: | -2.5664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.13 |
| InChI Key: | KXKBIMDGOBIYFR-KGLIPLIRSA-N |