N-(5-bromopyridin-2-yl)-4-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-4-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(5-bromopyridin-2-yl)-4-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0678 |
| Compound Name: | N-(5-bromopyridin-2-yl)-4-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 665.03 |
| Molecular Formula: | C34 H35 Br Cl N3 O4 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(COc2cc(C)c(c(C)c2)[Cl])c1)OC)C(Nc1ccc(cn1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.0071 |
| logD: | 5.9774 |
| logSw: | -6.739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.575 |
| InChI Key: | KNHLQXDAFDLERJ-PMERELPUSA-N |