N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0667 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 519.71 |
| Molecular Formula: | C30 H37 N3 O3 S |
| Smiles: | CC(C)N(CCCNC(C1C(c2cccs2)N(CCOC)C(c2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.934 |
| logD: | 1.9302 |
| logSw: | -3.9218 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.114 |
| InChI Key: | CAUBVGXGZPIDAI-UHFFFAOYSA-N |