N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L957-1797 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CN(C)S(c1ccc(cc1)c1nnc(C(NCCN2CCc3ccccc3C2)=O)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9344 |
| logD: | 1.5604 |
| logSw: | -2.6969 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.317 |
| InChI Key: | IYFJNLTUXTUAFL-UHFFFAOYSA-N |