N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C168-0534 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 479.62 |
| Molecular Formula: | C28 H37 N3 O4 |
| Smiles: | CCN(CCCNC(C1=CN(CC(C)C)C(c2cc(c(cc12)OC)OC)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4328 |
| logD: | 4.4222 |
| logSw: | -4.1717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.977 |
| InChI Key: | QDLMOYTYIZNLEP-UHFFFAOYSA-N |