N-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0161 |
| Compound Name: | N-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C28 H27 N3 O6 |
| Smiles: | COc1cccc(c1)N1C=C(C(NCCC(Nc2ccc(c(c2)OC)OC)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.2179 |
| logD: | 2.2178 |
| logSw: | -3.1033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.963 |
| InChI Key: | DNGBUJYTFNODBA-UHFFFAOYSA-N |