2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1473 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 555.56 |
| Molecular Formula: | C31 H26 F N3 O6 |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2396 |
| logD: | 4.6907 |
| logSw: | -5.0528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.6 |
| InChI Key: | CDFWYJPDZNCRKO-UHFFFAOYSA-N |