methyl 4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
methyl 4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
Compound characteristics
| Compound ID: | D400-2716 |
| Compound Name: | methyl 4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | Cc1ccc(cc1)c1nc(c2ccc(cc2)NC(CCC(=O)OC)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7965 |
| logD: | 3.7965 |
| logSw: | -4.0485 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.372 |
| InChI Key: | OTPHVFOONVCFRZ-UHFFFAOYSA-N |