2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K937-0678 |
| Compound Name: | 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 449.85 |
| Molecular Formula: | C23 H16 Cl N3 O5 |
| Smiles: | COc1ccc(cc1NC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)[Cl])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9268 |
| logD: | 3.2155 |
| logSw: | -4.4583 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.16 |
| InChI Key: | AXYJVOCPPVHMDU-UHFFFAOYSA-N |