2-(3-methoxyphenyl)-1-oxo-N-[3-oxo-3-(4-phenoxyanilino)propyl]-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-oxo-N-[3-oxo-3-(4-phenoxyanilino)propyl]-1,2-dihydroisoquinoline-4-carboxamide
2-(3-methoxyphenyl)-1-oxo-N-[3-oxo-3-(4-phenoxyanilino)propyl]-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0157 |
| Compound Name: | 2-(3-methoxyphenyl)-1-oxo-N-[3-oxo-3-(4-phenoxyanilino)propyl]-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 533.58 |
| Molecular Formula: | C32 H27 N3 O5 |
| Smiles: | COc1cccc(c1)N1C=C(C(NCCC(Nc2ccc(cc2)Oc2ccccc2)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.3731 |
| logD: | 4.373 |
| logSw: | -4.5075 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.45 |
| InChI Key: | VEXXWZQVVYJKDA-UHFFFAOYSA-N |