rel-(9aR,11R,12aS)-1-(3,5-dimethyl-1,2-oxazole-4-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-(3,5-dimethyl-1,2-oxazole-4-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-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0557 |
| Compound Name: | rel-(9aR,11R,12aS)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C24 H30 N6 O5 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(c2cccnc2)no1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1594 |
| logD: | 1.5207 |
| logSw: | -2.5383 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.675 |
| InChI Key: | BLZDYGLOBCAMOQ-AQNXPRMDSA-N |