N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-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-(thiophen-2-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-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0535 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 583.15 |
| Molecular Formula: | C30 H35 Cl N4 O4 S |
| Smiles: | CN1C(C(C(NCCCN2CCN(CC2)c2cccc(c2)[Cl])=O)c2cc(c(cc2C1=O)OC)OC)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1768 |
| logD: | 2.5906 |
| logSw: | -3.5842 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.465 |
| InChI Key: | IJJQCKRRWIDZKI-UHFFFAOYSA-N |