ethyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
ethyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C080-0101 |
| Compound Name: | ethyl 2-{[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 516.55 |
| Molecular Formula: | C29 H28 N2 O7 |
| Smiles: | CCOC(c1ccccc1NC(C1=CN(C(c2cc(c(cc12)OC)OC)=O)c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6117 |
| logD: | 4.2275 |
| logSw: | -4.3773 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.286 |
| InChI Key: | CMLOZJJPOQWODZ-UHFFFAOYSA-N |