rel-(9aR,12aS)-N-cyclohexyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-cyclohexyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,12aS)-N-cyclohexyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S732-0491 |
| Compound Name: | rel-(9aR,12aS)-N-cyclohexyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 349.52 |
| Molecular Formula: | C20 H35 N3 O2 |
| Smiles: | CN1CCCCCCN(C(NC2CCCCC2)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0731 |
| logD: | 3.073 |
| logSw: | -3.1007 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.075 |
| InChI Key: | PZLGUFQEPIKKME-MSOLQXFVSA-N |