rel-(9aR,12aS)-1-benzoyl-N,N-dimethyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-N,N-dimethyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
rel-(9aR,12aS)-1-benzoyl-N,N-dimethyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide
Compound characteristics
| Compound ID: | SB82-0749 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-N,N-dimethyl-9-oxododecahydrocyclopenta[f][1,4,8]triazacycloundecine-5(2H)-carboxamide |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CN(C)C(N1CCCN(C(c2ccccc2)=O)[C@H]2CCC[C@H]2C(NCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9884 |
| logD: | 0.9884 |
| logSw: | -1.9918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.488 |
| InChI Key: | CJNZDGINNLZFSK-MSOLQXFVSA-N |