methyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K937-0765 |
| Compound Name: | methyl 2-{[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C26 H22 N2 O4 |
| Smiles: | Cc1ccc(cc1C)N1C=C(C(Nc2ccccc2C(=O)OC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.6128 |
| logD: | 4.0258 |
| logSw: | -4.4786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.322 |
| InChI Key: | JEHYFTCANSFZOE-UHFFFAOYSA-N |