N-[2-(1H-imidazol-4-yl)ethyl]-1-oxo-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(1H-imidazol-4-yl)ethyl]-1-oxo-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
N-[2-(1H-imidazol-4-yl)ethyl]-1-oxo-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y041-3614 |
| Compound Name: | N-[2-(1H-imidazol-4-yl)ethyl]-1-oxo-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 448.48 |
| Molecular Formula: | C24 H24 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)N1C=C(C(NCCc2c[nH]cn2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.1567 |
| logD: | 1.1497 |
| logSw: | -2.3416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.781 |
| InChI Key: | ZGDUNXHLJSFDRH-UHFFFAOYSA-N |