2-benzyl-N-[2-(4-hydroxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-benzyl-N-[2-(4-hydroxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-benzyl-N-[2-(4-hydroxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-1184 |
| Compound Name: | 2-benzyl-N-[2-(4-hydroxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | C(CNC(C1=CN(Cc2ccccc2)C(c2ccccc12)=O)=O)c1ccc(cc1)O |
| Stereo: | ACHIRAL |
| logP: | 2.47 |
| logD: | 2.4692 |
| logSw: | -2.9763 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.072 |
| InChI Key: | YUXQBVHFNFAYRI-UHFFFAOYSA-N |