rel-(9aR,12aS)-1-benzoyl-N-(3-methylbutyl)-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-N-(3-methylbutyl)-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
rel-(9aR,12aS)-1-benzoyl-N-(3-methylbutyl)-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Compound characteristics
| Compound ID: | SB82-0769 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-N-(3-methylbutyl)-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C24 H36 N4 O3 |
| Smiles: | CC(C)CCNC(N1CCCN(C(c2ccccc2)=O)[C@H]2CCC[C@H]2C(NCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3858 |
| logD: | 2.3857 |
| logSw: | -2.794 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.586 |
| InChI Key: | NUVREYAUFSXFKW-RTWAWAEBSA-N |