N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}acetamide
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}acetamide
Compound characteristics
Compound ID: | Y503-1493 |
Compound Name: | N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}acetamide |
Molecular Weight: | 559.98 |
Molecular Formula: | C25 H25 Cl F3 N9 O |
Smiles: | Cn1cc(cn1)c1cc(C(F)(F)F)nc(n1)N1CCN(CC1)CC(Nc1c(cn(Cc2ccccc2)n1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.1568 |
logD: | 4.078 |
logSw: | -4.3699 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.338 |
InChI Key: | KQWIHVXZPNFVPI-UHFFFAOYSA-N |