N-(1-benzyl-1H-pyrazol-4-yl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(1-benzyl-1H-pyrazol-4-yl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
N-(1-benzyl-1H-pyrazol-4-yl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
Compound ID: | 7213-0298 |
Compound Name: | N-(1-benzyl-1H-pyrazol-4-yl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide |
Molecular Weight: | 473.48 |
Molecular Formula: | C22 H18 F3 N5 O2 S |
Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)C(Nc1cnn(Cc2ccccc2)c1)=O |
Stereo: | ACHIRAL |
logP: | 4.0538 |
logD: | 4.0535 |
logSw: | -4.1219 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.222 |
InChI Key: | BOYDAJCMUWZUJC-UHFFFAOYSA-N |