methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate
Chemical Structure Depiction of
methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate
methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate
Compound characteristics
Compound ID: | P507-0046 |
Compound Name: | methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate |
Molecular Weight: | 347.33 |
Molecular Formula: | C18 H13 N5 O3 |
Smiles: | COC(c1cccc(c1)c1nc(c2cn(c3ccccc3)nn2)no1)=O |
Stereo: | ACHIRAL |
logP: | 3.4702 |
logD: | 3.4702 |
logSw: | -3.6567 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 79.183 |
InChI Key: | XJOFWXCCYGAZCT-UHFFFAOYSA-N |