methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0112 |
| Compound Name: | methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 435.26 |
| Molecular Formula: | C20 H16 Cl2 N2 O5 |
| Smiles: | CC(C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O)Oc1ccc(cc1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.387 |
| logD: | 3.3856 |
| logSw: | -3.8191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.111 |
| InChI Key: | ZDSLMKLRTZBJLH-NSHDSACASA-N |