N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L307-2241 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CN(C)S(c1ccc(cc1)c1nc(C(NCCN2CCc3ccccc3C2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7245 |
| logD: | 2.3505 |
| logSw: | -3.3752 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.479 |
| InChI Key: | OKSKMSVNOIIEGO-UHFFFAOYSA-N |