N-{3-[benzyl(ethyl)amino]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{3-[benzyl(ethyl)amino]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1452 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C29 H31 N3 O3 |
| Smiles: | CCN(CCCNC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4418 |
| logD: | 1.8516 |
| logSw: | -3.7317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.239 |
| InChI Key: | RZHLWUASSMSXJC-UHFFFAOYSA-N |