(E)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide

Formula:C21H21N2O5F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
MolecularFormula	C21H21N2O5F3S
Smiles	O=C(/C=C/c1ccccc1)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1OCC(F)(F)F
InChI	InChI=1S/C21H21F3N2O5S/c22-21(23,24)15-31-19-8-7-17(32(28,29)26-10-12-30-13-11-26)14-18(19)25-20(27)9-6-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,25,27)
InChIK	JJSFKJDIBMAQKG-UHFFFAOYSA-N
TotalMolweight	470.467
Molweight	470.467
MonoisotopicMass	470.112327
CLogP	2.9997
CLogS	-3.762
H Acceptors	7
H Donors	1
TotalSurfaceArea	332.37
Relative PSA	0.23056
PolarSurfaceArea	93.32
Druglikeness	-6.0174
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	7
Amides	2
StereoCon

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