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

Formula:C27H20N3O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]prop-2-enamide
MolecularFormula	C27H20N3O2F
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)NCc(cccc1)c1F
InChI	InChI=1S/C27H20FN3O2/c28-23-12-6-4-9-20(23)17-29-26(32)15-14-21-18-31(22-10-2-1-3-11-22)30-27(21)25-16-19-8-5-7-13-24(19)33-25/h1-16,18H,17H2,(H,29,32)
InChIK	QXHDMGIRECPMDS-UHFFFAOYSA-N
TotalMolweight	437.473
Molweight	437.473
MonoisotopicMass	437.153955
CLogP	4.4081
CLogS	-5.992
H Acceptors	5
H Donors	1
TotalSurfaceArea	340.61
Relative PSA	0.16573
PolarSurfaceArea	60.06
Druglikeness	1.5104
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]prop-2-enamide | 2 - (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]prop-2-enamide

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments