N-[(4-butoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
N-[(4-butoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | G819-0254 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | CCCCOc1ccc(CNC(CS(Cc2cnn(c3ccccc3)c2n2cccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8394 |
| logD: | 4.8394 |
| logSw: | -4.4321 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.757 |
| InChI Key: | FNPDQOMTFZKYGA-UHFFFAOYSA-N |