2-cyclopentyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclopentyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1345 |
| Compound Name: | 2-cyclopentyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 570.8 |
| Molecular Formula: | C34 H42 N4 O2 S |
| Smiles: | CC1CN(CCCNC(C2C(c3cccs3)N(C3CCCC3)C(c3ccccc23)=O)=O)CCN1c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2043 |
| logD: | 4.6364 |
| logSw: | -4.8642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.973 |
| InChI Key: | JGNGLITYQVEAHL-UHFFFAOYSA-N |