2-{4-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-3,6-dihydropyridin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{4-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-3,6-dihydropyridin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-{4-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-3,6-dihydropyridin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F523-0772 |
| Compound Name: | 2-{4-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-3,6-dihydropyridin-1(2H)-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 446.61 |
| Molecular Formula: | C26 H30 N4 O S |
| Smiles: | Cc1ccc(cc1C)n1cc(cn1)C1CCN(CC=1)CC(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6587 |
| logD: | 5.6586 |
| logSw: | -5.2485 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.528 |
| InChI Key: | MOPBLCSJNUFDMX-UHFFFAOYSA-N |