4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)butan-1-one
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)butan-1-one
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)butan-1-one
Compound characteristics
Compound ID: | SA47-0204 |
Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(7-hydroxy-7-methyl-5-oxa-2-azaspiro[3.4]octan-2-yl)butan-1-one |
Molecular Weight: | 417.46 |
Molecular Formula: | C21 H27 N3 O6 |
Smiles: | CC1(CC2(CN(C2)C(CCCc2nc(c3ccc(c(c3)OC)OC)no2)=O)OC1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9386 |
logD: | 1.9386 |
logSw: | -2.3276 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.059 |
InChI Key: | DSXCTPZCSUWNNM-FQEVSTJZSA-N |