methyl 2-{[3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C096-1305 |
| Compound Name: | methyl 2-{[3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 474.51 |
| Molecular Formula: | C27 H26 N2 O6 |
| Smiles: | CN1C(C(C(Nc2ccccc2C(=O)OC)=O)c2ccccc2C1=O)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3209 |
| logD: | 2.8809 |
| logSw: | -3.7205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.517 |
| InChI Key: | JYEDUYHBWJEOQM-UHFFFAOYSA-N |