N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0305 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 537.12 |
| Molecular Formula: | C29 H33 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CCCNC(C2C(c3cccs3)N(C)C(c3ccccc23)=O)=O)CC1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1356 |
| logD: | 2.9349 |
| logSw: | -4.3854 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.903 |
| InChI Key: | DMJCBXMYMJHUSH-UHFFFAOYSA-N |