(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide

Formula:C26H23N4O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
MolecularFormulaC26H23N4O3FS
SmilesNS(c1ccc(CCNC(/C=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)=O)cc1)(=O)=O
InChIInChI=1S/C26H23FN4O3S/c27-22-11-8-20(9-12-22)26-21(18-31(30-26)23-4-2-1-3-5-23)10-15-25(32)29-17-16-19-6-13-24(14-7-19)35(28,33)34/h1-15,18H,16-17H2,(H,29,32)(H2,28,33,34)
InChIKLSUFINSSXJYEQU-UHFFFAOYSA-N
TotalMolweight490.558
Molweight490.558
MonoisotopicMass490.147489
CLogP3.0596
CLogS-5.152
H Acceptors7
H Donors2
TotalSurfaceArea367.18
Relative PSA0.23473
PolarSurfaceArea115.46
Druglikeness4.5777
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms3
Symmetricatoms7
Amides2
Aromatic Nitrogens2
StereoCon

Request More Details | (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments