rel-(9aR,11R,12aS)-1-(1-methyl-1H-pyrazole-5-carbonyl)-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-(1-methyl-1H-pyrazole-5-carbonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-(1-methyl-1H-pyrazole-5-carbonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0418 |
| Compound Name: | rel-(9aR,11R,12aS)-1-(1-methyl-1H-pyrazole-5-carbonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C24 H29 N7 O3 |
| Smiles: | Cn1c(ccn1)C(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(c2cccnc2)no1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7105 |
| logD: | 1.0718 |
| logSw: | -1.8558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.448 |
| InChI Key: | XLWXNMKYQBUXHX-GGPKGHCWSA-N |