[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate

Formula:C26H19N4O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C26H19N4O3F3
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)=O)Nc1c(C(F)(F)F)cccc1
InChI	InChI=1S/C26H19F3N4O3/c27-26(28,29)21-10-4-5-11-22(21)31-23(34)17-36-24(35)13-12-19-16-33(20-8-2-1-3-9-20)32-25(19)18-7-6-14-30-15-18/h1-16H,17H2,(H,31,34)
InChIK	XQOUPSIIQXUNIR-UHFFFAOYSA-N
TotalMolweight	492.456
Molweight	492.456
MonoisotopicMass	492.140925
CLogP	3.4606
CLogS	-4.897
H Acceptors	7
H Donors	1
TotalSurfaceArea	365.94
Relative PSA	0.20864
PolarSurfaceArea	86.11
Druglikeness	-4.6816
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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