methyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C080-0063 |
| Compound Name: | methyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 502.52 |
| Molecular Formula: | C28 H26 N2 O7 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(Nc2ccccc2C(=O)OC)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.068 |
| logD: | 3.6839 |
| logSw: | -4.1877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.706 |
| InChI Key: | JZXMCLORSLIBNL-UHFFFAOYSA-N |