1-(4-methoxyanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(4-methoxyanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide
1-(4-methoxyanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C128-0093 |
| Compound Name: | 1-(4-methoxyanilino)-N-(2-methoxy-5-nitrophenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C24 H20 N4 O5 |
| Smiles: | COc1ccc(cc1)Nc1c2ccccc2c(cn1)C(Nc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6185 |
| logD: | 4.5969 |
| logSw: | -4.3313 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.606 |
| InChI Key: | ORWRYEWKOAHEFK-UHFFFAOYSA-N |