N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyrazine-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyrazine-2-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyrazine-2-carboxamide
Compound characteristics
| Compound ID: | Y041-5537 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyrazine-2-carboxamide |
| Molecular Weight: | 296.33 |
| Molecular Formula: | C16 H16 N4 O2 |
| Smiles: | C1CN(Cc2ccccc12)C(CNC(c1cnccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9282 |
| logD: | 0.9281 |
| logSw: | -1.4805 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.272 |
| InChI Key: | ROQSMYZOQQWMLC-UHFFFAOYSA-N |