methyl 4-{[1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
methyl 4-{[1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y042-5266 |
| Compound Name: | methyl 4-{[1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | CC(C)N1C=C(C(Nc2ccc(cc2)C(=O)OC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9899 |
| logD: | 2.9156 |
| logSw: | -3.7537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.623 |
| InChI Key: | LJCQTELFMVRLAY-UHFFFAOYSA-N |