ethyl 1-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetyl)piperidine-4-carboxylate
ethyl 1-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetyl)piperidine-4-carboxylate
Compound characteristics
Compound ID: | G819-0002 |
Compound Name: | ethyl 1-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetyl)piperidine-4-carboxylate |
Molecular Weight: | 468.57 |
Molecular Formula: | C24 H28 N4 O4 S |
Smiles: | CCOC(C1CCN(CC1)C(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8503 |
logD: | 2.8503 |
logSw: | -3.0749 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 69.014 |
InChI Key: | XDCAJOWZBHVXGF-UHFFFAOYSA-N |