methyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
Compound ID: | L981-0393 |
Compound Name: | methyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate |
Molecular Weight: | 481.55 |
Molecular Formula: | C24 H24 F N5 O3 S |
Smiles: | COC(c1ccccc1NC(CSc1c(nccn1)N1CCN(CC1)c1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8523 |
logD: | 3.8358 |
logSw: | -3.9601 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.465 |
InChI Key: | FRWRHRUWFNVGGB-UHFFFAOYSA-N |