methyl 4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
methyl 4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
Compound characteristics
| Compound ID: | D400-2803 |
| Compound Name: | methyl 4-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | COC(CCC(Nc1ccc(cc1)c1nc(c2ccc(cc2)OC)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3555 |
| logD: | 3.3555 |
| logSw: | -3.5703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.916 |
| InChI Key: | XKQKSJSJEGEQBR-UHFFFAOYSA-N |