N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1506 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 557.71 |
| Molecular Formula: | C34 H40 F N3 O3 |
| Smiles: | CC1CC(C)CN(CCCNC(C2C(c3ccc(cc3)OC)N(Cc3ccc(cc3)F)C(c3ccccc23)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1591 |
| logD: | 2.5542 |
| logSw: | -4.9019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.299 |
| InChI Key: | RJNLJTQALKHTPY-UHFFFAOYSA-N |