N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K905-0206 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | CN1C=C(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.7546 |
| logD: | 0.0961 |
| logSw: | -2.5521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.592 |
| InChI Key: | ATMKOKKWYMGKSD-UHFFFAOYSA-N |