2-ethyl-6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-ethyl-6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-ethyl-6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C168-0231 |
| Compound Name: | 2-ethyl-6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 427.41 |
| Molecular Formula: | C21 H21 N3 O7 |
| Smiles: | CCN1C=C(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5659 |
| logD: | 1.2019 |
| logSw: | -3.1248 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.863 |
| InChI Key: | WHUOBBYLHOADRI-UHFFFAOYSA-N |