2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | E008-0045 |
| Compound Name: | 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | C1CCN(CC1)C(CSCc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2454 |
| logD: | 4.2454 |
| logSw: | -4.0407 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.216 |
| InChI Key: | PCYPUWMBFMGVPC-UHFFFAOYSA-N |