2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
Compound ID: | 3176-5195 |
Compound Name: | 2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
Molecular Weight: | 414.84 |
Molecular Formula: | C21 H19 Cl N2 O5 |
Smiles: | CC1=C(C(CC(N1)=O)c1cc(ccc1[Cl])[N+]([O-])=O)C(=O)OCCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2467 |
logD: | 3.4478 |
logSw: | -4.5395 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.597 |
InChI Key: | ZLEHULCBBTUBOY-KRWDZBQOSA-N |