3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1335 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 491.5 |
| Molecular Formula: | C26 H25 N3 O7 |
| Smiles: | CN1C(C(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2ccccc2C1=O)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1879 |
| logD: | 2.639 |
| logSw: | -3.693 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.355 |
| InChI Key: | MSYCWINJSLXXSQ-UHFFFAOYSA-N |