N-(2-benzoyl-4-chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(2-benzoyl-4-chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
N-(2-benzoyl-4-chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
Compound characteristics
Compound ID: | Y600-3338 |
Compound Name: | N-(2-benzoyl-4-chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide |
Molecular Weight: | 437.95 |
Molecular Formula: | C22 H20 Cl N5 O S |
Smiles: | C1CN(CCN1C(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])=S)c1ncccn1 |
Stereo: | ACHIRAL |
logP: | 4.9743 |
logD: | 4.9743 |
logSw: | -5.0773 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.529 |
InChI Key: | ONFQFZXMZIYZBD-UHFFFAOYSA-N |