N-{3-[benzyl(ethyl)amino]propyl}-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[benzyl(ethyl)amino]propyl}-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0808 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 517.64 |
| Molecular Formula: | C31 H36 F N3 O3 |
| Smiles: | CCN(CCCNC(C1C(c2ccc(cc2)F)N(CCOC)C(c2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9566 |
| logD: | 2.3096 |
| logSw: | -3.8832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.185 |
| InChI Key: | GUOUPJRUUYCXRS-UHFFFAOYSA-N |