2-benzyl-4-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
Chemical Structure Depiction of
2-benzyl-4-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
2-benzyl-4-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | G235-0095 |
| Compound Name: | 2-benzyl-4-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C25 H21 N O3 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(O)=O)N(Cc2ccccc2)C(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.127 |
| logD: | 3.0014 |
| logSw: | -4.7197 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.116 |
| InChI Key: | QLBANSVUDMFZEI-UHFFFAOYSA-N |