[2-(benzylamino)-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate

Formula:C22H21N2O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(benzylamino)-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate is a drug-like molecule.

MolName	[2-(benzylamino)-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate
MolecularFormula	C22H21N2O4F3
Smiles	O=C(COC(C(Cc1ccccc1)N/C=C/C(C(F)(F)F)=O)=O)NCc1ccccc1
InChI	InChI=1S/C22H21F3N2O4/c23-22(24,25)19(28)11-12-26-18(13-16-7-3-1-4-8-16)21(30)31-15-20(29)27-14-17-9-5-2-6-10-17/h1-12,18,26H,13-15H2,(H,27,29)/t18-/m0/s1
InChIK	JALFEYKWUUNXOH-SFHVURJKSA-N
TotalMolweight	434.413
Molweight	434.413
MonoisotopicMass	434.145342
CLogP	1.9588
CLogS	-4.131
H Acceptors	6
H Donors	2
TotalSurfaceArea	328.93
Relative PSA	0.21901
PolarSurfaceArea	84.5
Druglikeness	-28.757
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	12
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
Amides	1
StereoCon	racemate

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