(E)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C26H20N4OClF5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C26H20N4OClF5S
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)cc(Cl)c1N(CC1)CCN1c(c(F)c(c(F)c1F)F)c1F)=S
InChI	InChI=1S/C26H20ClF5N4OS/c27-17-14-16(33-26(38)34-19(37)9-6-15-4-2-1-3-5-15)7-8-18(17)35-10-12-36(13-11-35)25-23(31)21(29)20(28)22(30)24(25)32/h1-9,14H,10-13H2,(H2,33,34,37,38)
InChIK	UIYHTDYFXASAGE-UHFFFAOYSA-N
TotalMolweight	566.981
Molweight	566.981
MonoisotopicMass	566.096648
CLogP	5.7023
CLogS	-7.799
H Acceptors	5
H Donors	2
TotalSurfaceArea	401.97
Relative PSA	0.17678
PolarSurfaceArea	79.7
Druglikeness	2.3779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea; polyhalo aromatic ring
Shape Index	0.60526
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	8
Amides	1
Amines	2
Aromatic Amines	2
StereoCon

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1 - (E)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide

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