rel-(9aR,12aS)-N-(2-methylpropyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-(2-methylpropyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,12aS)-N-(2-methylpropyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S732-0226 |
| Compound Name: | rel-(9aR,12aS)-N-(2-methylpropyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 309.45 |
| Molecular Formula: | C17 H31 N3 O2 |
| Smiles: | CC(C)CNC(N1CCCCCCNC([C@@H]2CCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0908 |
| logD: | 2.0908 |
| logSw: | -2.5311 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.289 |
| InChI Key: | XHFGISAVRLVVDV-CABCVRRESA-N |