ethyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
ethyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K937-0803 |
| Compound Name: | ethyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C27 H24 N2 O4 |
| Smiles: | CCOC(c1ccccc1NC(C1=CN(C(c2ccccc12)=O)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1564 |
| logD: | 4.5695 |
| logSw: | -4.941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.902 |
| InChI Key: | USPUTIOMFBMOOY-UHFFFAOYSA-N |