rel-(9aR,11R,12aS)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1-(thiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1-(thiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1-(thiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0314 |
| Compound Name: | rel-(9aR,11R,12aS)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1-(thiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | C1CCCN(C(c2cccs2)=O)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2963 |
| logD: | 2.6576 |
| logSw: | -3.1238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.816 |
| InChI Key: | NJGARGZMNLMDDQ-OTWHNJEPSA-N |