(E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

Formula:C23H16N2OBrF5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
MolecularFormula	C23H16N2OBrF5S
Smiles	O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N(CC1)CCC1c1nc(-c2cccc(Br)c2)cs1
InChI	InChI=1S/C23H16BrF5N2OS/c24-14-3-1-2-13(10-14)16-11-33-23(30-16)12-6-8-31(9-7-12)17(32)5-4-15-18(25)20(27)22(29)21(28)19(15)26/h1-5,10-12H,6-9H2
InChIK	CGLNAZMNKMMDKI-UHFFFAOYSA-N
TotalMolweight	543.353
Molweight	543.353
MonoisotopicMass	542.008684
CLogP	6.381
CLogS	-7.03
H Acceptors	3
TotalSurfaceArea	346.45
Relative PSA	0.13832
PolarSurfaceArea	61.44
Druglikeness	1.4667
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one | 2 - (E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

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