N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0899 |
| Compound Name: | N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 505.66 |
| Molecular Formula: | C27 H27 N3 O3 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(C1C(c3cccs3)N(CC(C)C)C(c3ccccc13)=O)=O)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2109 |
| logD: | 6.2101 |
| logSw: | -5.4646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.917 |
| InChI Key: | GUUWVJRBVYIVEX-UHFFFAOYSA-N |