methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V008-4022 |
| Compound Name: | methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)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(N1Cc1cccc(c1)[N+]([O-])=O)=O)c1ccccc1[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0169 |
| logD: | 4.0169 |
| logSw: | -4.3428 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.404 |
| InChI Key: | YTQRPPMSMDQVHN-KRWDZBQOSA-N |