4-(3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-(3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-methoxyphenyl acetate
4-(3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 1965-0023 |
| Compound Name: | 4-(3-cyano-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-methoxyphenyl acetate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | CC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(c(c1)OC)OC(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2019 |
| logD: | -0.3084 |
| logSw: | -2.9433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.446 |
| InChI Key: | DTTSXAFROPMBQR-LJQANCHMSA-N |