N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1000 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 558.79 |
| Molecular Formula: | C33 H42 N4 O2 S |
| Smiles: | CC(C)CN1C(C(C(NCCCN2CCN(CC2)c2cc(C)ccc2C)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5703 |
| logD: | 4.3696 |
| logSw: | -5.3662 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.138 |
| InChI Key: | SYXQMQSCOLPHNI-UHFFFAOYSA-N |