N-[2-(1H-imidazol-4-yl)ethyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(1H-imidazol-4-yl)ethyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[2-(1H-imidazol-4-yl)ethyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5051 |
| Compound Name: | N-[2-(1H-imidazol-4-yl)ethyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 296.33 |
| Molecular Formula: | C16 H16 N4 O2 |
| Smiles: | CN1C=C(C(NCCc2c[nH]cn2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | -0.2218 |
| logD: | -0.2287 |
| logSw: | -2.1772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.235 |
| InChI Key: | HBPIGIRQGUEUNC-UHFFFAOYSA-N |