N-[(4-methoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
N-[(4-methoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | G819-0088 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | COc1ccc(CNC(CS(Cc2cnn(c3ccccc3)c2n2cccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3895 |
| logD: | 3.3895 |
| logSw: | -3.5812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.883 |
| InChI Key: | IBOAVEJCZOVNSP-UHFFFAOYSA-N |