4-(ethoxycarbonyl)phenyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
4-(ethoxycarbonyl)phenyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
4-(ethoxycarbonyl)phenyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-0098 |
| Compound Name: | 4-(ethoxycarbonyl)phenyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C26 H21 N O5 |
| Smiles: | CCOC(c1ccc(cc1)OC(C1=CN(C(c2ccccc12)=O)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7111 |
| logD: | 4.7111 |
| logSw: | -4.4868 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.886 |
| InChI Key: | NEHGNFUCJIMXEC-UHFFFAOYSA-N |