methyl 2-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K936-0280 |
| Compound Name: | methyl 2-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C25 H20 N2 O5 |
| Smiles: | COC(c1ccccc1NC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4475 |
| logD: | 2.8605 |
| logSw: | -3.8434 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.865 |
| InChI Key: | IFNCCTXKMKTVIB-UHFFFAOYSA-N |