N-{3-[butyl(ethyl)amino]propyl}-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[butyl(ethyl)amino]propyl}-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1212 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 481.7 |
| Molecular Formula: | C28 H39 N3 O2 S |
| Smiles: | CCCCN(CC)CCCNC(C1C(c2cccs2)N(C2CCCC2)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5333 |
| logD: | 1.7828 |
| logSw: | -3.9892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.448 |
| InChI Key: | GGFMFBIMQUCBSQ-UHFFFAOYSA-N |