N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | G819-0235 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | COc1ccc(CNC(CS(Cc2cnn(c3ccccc3)c2n2cccc2)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6267 |
| logD: | 3.6267 |
| logSw: | -3.8236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.513 |
| InChI Key: | FXIHHNCJJQLYHL-UHFFFAOYSA-N |