5-(1-methyl-1H-pyrazole-5-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(1-methyl-1H-pyrazole-5-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(1-methyl-1H-pyrazole-5-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
Compound ID: | S747-0720 |
Compound Name: | 5-(1-methyl-1H-pyrazole-5-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
Molecular Weight: | 423.47 |
Molecular Formula: | C21 H25 N7 O3 |
Smiles: | Cn1c(ccn1)C(N1CCCC(CCNC(CC1)=O)c1nc(c2cccnc2)no1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.0694 |
logD: | -0.5693 |
logSw: | -0.8186 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.815 |
InChI Key: | IQZXJZBGEOHYSG-HNNXBMFYSA-N |