2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(thiophen-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(thiophen-2-yl)ethyl]acetamide
2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(thiophen-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | G819-0244 |
| Compound Name: | 2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(thiophen-2-yl)ethyl]acetamide |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C22 H22 N4 O2 S2 |
| Smiles: | C(CNC(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 3.1409 |
| logD: | 3.1409 |
| logSw: | -3.2988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.199 |
| InChI Key: | NCZJLIBHMOEQCB-UHFFFAOYSA-N |