1-(2-methylpiperidin-1-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one
Chemical Structure Depiction of
1-(2-methylpiperidin-1-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one
1-(2-methylpiperidin-1-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one
Compound characteristics
| Compound ID: | G819-0006 |
| Compound Name: | 1-(2-methylpiperidin-1-yl)-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}ethan-1-one |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | CC1CCCCN1C(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.264 |
| logD: | 3.264 |
| logSw: | -3.3278 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.545 |
| InChI Key: | MBAQSEVPZNAVPT-UHFFFAOYSA-N |