2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K937-0795 |
| Compound Name: | 2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C25 H21 N3 O5 |
| Smiles: | Cc1ccc(cc1C)N1C=C(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4797 |
| logD: | 3.7685 |
| logSw: | -4.4765 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.16 |
| InChI Key: | KDCSYUFHZYYJNH-UHFFFAOYSA-N |