4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0498 |
| Compound Name: | 4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 600.65 |
| Molecular Formula: | C33 H33 F N4 O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(COc2cc(ccc2[N+]([O-])=O)F)c1)OC)C(Nc1ccc(C)cn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.813 |
| logD: | 3.7833 |
| logSw: | -5.446 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.742 |
| InChI Key: | AHVXJUBIJSHKKO-PMERELPUSA-N |