3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | F368-0511 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | CSc1ccc(CNC(CCc2cn(c3ccccc3)nc2c2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2996 |
| logD: | 5.2996 |
| logSw: | -5.2521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.186 |
| InChI Key: | POCFPSORRMMUBL-UHFFFAOYSA-N |