N-{4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | K907-0187 |
| Compound Name: | N-{4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 475.46 |
| Molecular Formula: | C25 H21 N3 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.5429 |
| logD: | 4.5429 |
| logSw: | -4.4182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.829 |
| InChI Key: | PYPPZIWEEZEBBL-UHFFFAOYSA-N |