3-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid
Chemical Structure Depiction of
3-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid
3-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid
Compound characteristics
| Compound ID: | D321-0870 |
| Compound Name: | 3-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | COc1ccc(cc1OC)c1nc(CCCC(Nc2cccc(c2)C(O)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.5671 |
| logD: | 0.6813 |
| logSw: | -3.7914 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.128 |
| InChI Key: | PIOUAZVRHRCJAQ-UHFFFAOYSA-N |