N-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C115-0280 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 533.6 |
| Molecular Formula: | C28 H27 N3 O6 S |
| Smiles: | CN1C(C(C(Nc2nc3ccccc3s2)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9859 |
| logD: | 3.9836 |
| logSw: | -4.2094 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.063 |
| InChI Key: | LCEPYHMVOKYTQG-UHFFFAOYSA-N |