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

Formula:C23H15N3O3ClF5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
MolecularFormula	C23H15N3O3ClF5S
Smiles	[O-][N+](c(cc(cc1)-c2csc(C(CC3)CCN3C(/C=C/c(c(F)c(c(F)c3F)F)c3F)=O)n2)c1Cl)=O
InChI	InChI=1S/C23H15ClF5N3O3S/c24-14-3-1-12(9-16(14)32(34)35)15-10-36-23(30-15)11-5-7-31(8-6-11)17(33)4-2-13-18(25)20(27)22(29)21(28)19(13)26/h1-4,9-11H,5-8H2
InChIK	TYGQXYHKUWLFPY-UHFFFAOYSA-N
TotalMolweight	543.899
Molweight	543.899
MonoisotopicMass	543.044279
CLogP	5.3402
CLogS	-7.392
H Acceptors	6
TotalSurfaceArea	366.91
Relative PSA	0.21351
PolarSurfaceArea	107.26
Druglikeness	-1.7529
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; polyhalo aromatic ring
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments