N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C125-0535 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 578.11 |
| Molecular Formula: | C31 H36 Cl N5 O4 |
| Smiles: | CN1C(C(C(NCCCN2CCN(CC2)c2cccc(c2)[Cl])=O)c2cc(c(cc2C1=O)OC)OC)c1cccnc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3888 |
| logD: | 1.8026 |
| logSw: | -3.4984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.965 |
| InChI Key: | IKEKDHSMFISOGH-UHFFFAOYSA-N |