5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | C201-0642 |
Compound Name: | 5-(chloromethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 433.87 |
Molecular Formula: | C18 H16 Cl N5 O4 S |
Smiles: | COc1ccc(cc1OC)c1nc(c2c(nn3C(C=C(C[Cl])Nc23)=O)SC)on1 |
Stereo: | ACHIRAL |
logP: | 3.0326 |
logD: | 2.9147 |
logSw: | -3.5785 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.301 |
InChI Key: | JXKZJMZWYOMPLV-UHFFFAOYSA-N |