N-{3-[benzyl(methyl)amino]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[benzyl(methyl)amino]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0093 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C26 H29 N3 O2 S |
| Smiles: | CN(CCCNC(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8182 |
| logD: | 1.3209 |
| logSw: | -3.5014 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.056 |
| InChI Key: | VRVVRZMLMVKKCY-UHFFFAOYSA-N |