N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0675 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C28 H36 F N3 O4 |
| Smiles: | CN1C(C(C(NCCCN2CCCCCC2)=O)c2cc(c(cc2C1=O)OC)OC)c1ccccc1F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9772 |
| logD: | 0.3486 |
| logSw: | -3.3377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.518 |
| InChI Key: | HBOOLYFGTNAMCW-UHFFFAOYSA-N |