dimethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 4476-4921 |
| Compound Name: | dimethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 552.42 |
| Molecular Formula: | C27 H26 Br N3 O5 |
| Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OC)c1cn(c2ccccc2)nc1c1ccc(c(c1)[Br])OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0127 |
| logD: | 0.9638 |
| logSw: | -4.6322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.965 |
| InChI Key: | KMIHINREVQCGTN-UHFFFAOYSA-N |