2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(piperidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(piperidin-1-yl)ethyl]acetamide
2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(piperidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | G819-0126 |
| Compound Name: | 2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}-N-[2-(piperidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | C1CCN(CC1)CCNC(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4275 |
| logD: | 0.7873 |
| logSw: | -2.5426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.163 |
| InChI Key: | HMLLUMDFUIFZBE-WJOKGBTCSA-N |