methyl 4-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
methyl 4-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate
Compound characteristics
| Compound ID: | D400-1392 |
| Compound Name: | methyl 4-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-4-oxobutanoate |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | Cc1cccc(c1)c1nc(c2ccccc2NC(CCC(=O)OC)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4638 |
| logD: | 3.4638 |
| logSw: | -3.804 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.675 |
| InChI Key: | PQZRUWZRJSDPLB-UHFFFAOYSA-N |