tert-butyl rel-(9aR,11R,12aS)-9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxylate
Chemical Structure Depiction of
tert-butyl rel-(9aR,11R,12aS)-9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxylate
tert-butyl rel-(9aR,11R,12aS)-9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxylate
Compound characteristics
| Compound ID: | S746-0023 |
| Compound Name: | tert-butyl rel-(9aR,11R,12aS)-9-oxo-11-(3-phenyl-1,2,4-oxadiazol-5-yl)dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxylate |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C25 H34 N4 O4 |
| Smiles: | CC(C)(C)OC(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(c2ccccc2)no1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1122 |
| logD: | 5.1122 |
| logSw: | -4.8085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.713 |
| InChI Key: | HHZWLCDJRYXFNO-ZCNNSNEGSA-N |