dimethyl 4-(5-bromo-2-fluorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(5-bromo-2-fluorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(5-bromo-2-fluorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0126 |
| Compound Name: | dimethyl 4-(5-bromo-2-fluorophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 412.25 |
| Molecular Formula: | C18 H19 Br F N O4 |
| Smiles: | CC1=C(C(C(=C(C)N1C)C(=O)OC)c1cc(ccc1F)[Br])C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6326 |
| logD: | 3.6326 |
| logSw: | -3.9268 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.401 |
| InChI Key: | MRYURBKPFYQBJH-UHFFFAOYSA-N |