4-{4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
4-{4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Compound characteristics
Compound ID: | 5378-0877 |
Compound Name: | 4-{4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide |
Molecular Weight: | 451.42 |
Molecular Formula: | C20 H16 F3 N3 O4 S |
Smiles: | CC1Cc2cc(/C=C3/C(C(F)(F)F)=NN(C3=O)c3ccc(cc3)S(N)(=O)=O)ccc2O1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7432 |
logD: | 2.7422 |
logSw: | -3.5194 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.418 |
InChI Key: | QMKIPXMXSZXUOT-LLVKDONJSA-N |