methyl N-[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate
Chemical Structure Depiction of
methyl N-[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate
methyl N-[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate
Compound characteristics
| Compound ID: | 3909-9148 |
| Compound Name: | methyl N-[2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | Cc1ccc(cc1C)N1C=C(C(NCC(=O)OC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.5566 |
| logD: | 2.5566 |
| logSw: | -3.0193 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.018 |
| InChI Key: | KQURCTZXNQQUDY-UHFFFAOYSA-N |