di-tert-butyl 2,6-dimethyl-4-{1-phenyl-3-[4-(piperidine-1-sulfonyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
di-tert-butyl 2,6-dimethyl-4-{1-phenyl-3-[4-(piperidine-1-sulfonyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
di-tert-butyl 2,6-dimethyl-4-{1-phenyl-3-[4-(piperidine-1-sulfonyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 4476-2160 |
| Compound Name: | di-tert-butyl 2,6-dimethyl-4-{1-phenyl-3-[4-(piperidine-1-sulfonyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 674.86 |
| Molecular Formula: | C37 H46 N4 O6 S |
| Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OC(C)(C)C)c1cn(c2ccccc2)nc1c1ccc(cc1)S(N1CCCCC1)(=O)=O)C(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.9013 |
| logD: | 2.8525 |
| logSw: | -5.6013 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.424 |
| InChI Key: | JRBYVEAKNMSGHU-UHFFFAOYSA-N |