(E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one

Formula:C24H19N2OBrF4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]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-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one
MolecularFormula	C24H19N2OBrF4S
Smiles	O=C(/C=C/c(cccc1C(F)(F)F)c1F)N(CC1)CCC1c1nc(-c2cccc(Br)c2)cs1
InChI	InChI=1S/C24H19BrF4N2OS/c25-18-5-1-4-17(13-18)20-14-33-23(30-20)16-9-11-31(12-10-16)21(32)8-7-15-3-2-6-19(22(15)26)24(27,28)29/h1-8,13-14,16H,9-12H2
InChIK	BOFJVNQYNHQQBE-UHFFFAOYSA-N
TotalMolweight	539.39
Molweight	539.39
MonoisotopicMass	538.033756
CLogP	6.8261
CLogS	-6.552
H Acceptors	3
TotalSurfaceArea	350.51
Relative PSA	0.13672
PolarSurfaceArea	61.44
Druglikeness	-4.3833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
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-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one | 2 - (E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one

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