4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethoxyphenyl)isoquinolin-1(2H)-one
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0182 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 469.45 |
| Molecular Formula: | C26 H19 N3 O6 |
| Smiles: | COc1ccc(cc1OC)N1C=C(c2ccccc2C1=O)c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.0814 |
| logD: | 4.0814 |
| logSw: | -4.4076 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.536 |
| InChI Key: | YCCSPHUXTXEWFJ-UHFFFAOYSA-N |