rel-(9aR,11R,12aS)-1-(3-methoxybenzene-1-sulfonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-1-(3-methoxybenzene-1-sulfonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-(3-methoxybenzene-1-sulfonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0549 |
| Compound Name: | rel-(9aR,11R,12aS)-1-(3-methoxybenzene-1-sulfonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C26 H31 N5 O5 S |
| Smiles: | COc1cccc(c1)S(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(c2cccnc2)no1)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.3994 |
| logD: | 2.7607 |
| logSw: | -3.5792 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.181 |
| InChI Key: | UBJGVVYUTPYRBF-PMOQBDJRSA-N |