3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3170-5218 |
| Compound Name: | 3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 401.86 |
| Molecular Formula: | C22 H21 Cl F N O3 |
| Smiles: | CC1=C(C(CC(N1)=O)c1c(cccc1[Cl])F)C(=O)OCCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5842 |
| logD: | 3.918 |
| logSw: | -4.5852 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.215 |
| InChI Key: | JNTLLDXNFSOUMU-INIZCTEOSA-N |