methyl 2-{[2-(4-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(4-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[2-(4-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K937-0648 |
| Compound Name: | methyl 2-{[2-(4-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 432.86 |
| Molecular Formula: | C24 H17 Cl N2 O4 |
| Smiles: | COC(c1ccccc1NC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0598 |
| logD: | 3.4729 |
| logSw: | -4.6187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.322 |
| InChI Key: | DAXXKQWRKOYTJU-UHFFFAOYSA-N |