rel-(9aR,11R,12aS)-N-benzyl-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-N-benzyl-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,11R,12aS)-N-benzyl-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S763-1696 |
| Compound Name: | rel-(9aR,11R,12aS)-N-benzyl-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C29 H35 N5 O3 |
| Smiles: | C1CCCN(C(NCc2ccccc2)=O)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(Cc2ccccc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2866 |
| logD: | 4.2866 |
| logSw: | -4.1784 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.413 |
| InChI Key: | VKRORWZBPBLEGQ-SDHSZQHLSA-N |