ethyl 4-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]piperidine-1-carboxylate
ethyl 4-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]piperidine-1-carboxylate
Compound characteristics
Compound ID: | E008-0052 |
Compound Name: | ethyl 4-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]piperidine-1-carboxylate |
Molecular Weight: | 467.59 |
Molecular Formula: | C24 H29 N5 O3 S |
Smiles: | CCOC(N1CCC(CC1)NC(CSCc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9963 |
logD: | 3.9963 |
logSw: | -3.7686 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.8 |
InChI Key: | FBNUWWBNFSCLBF-UHFFFAOYSA-N |