methyl 2-[2-(2,4-dichlorophenoxy)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2,4-dichlorophenoxy)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[2-(2,4-dichlorophenoxy)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0032 |
| Compound Name: | methyl 2-[2-(2,4-dichlorophenoxy)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 421.23 |
| Molecular Formula: | C19 H14 Cl2 N2 O5 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(COc1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6244 |
| logD: | 2.6236 |
| logSw: | -3.4554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.607 |
| InChI Key: | NCUXQORSFYBXJY-UHFFFAOYSA-N |