4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0077 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C25 H17 N3 O5 |
| Smiles: | COc1cccc(c1)N1C=C(c2ccccc2C1=O)c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.5876 |
| logD: | 4.5876 |
| logSw: | -4.5238 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.819 |
| InChI Key: | XGQZHQLAZSRRHH-UHFFFAOYSA-N |