(E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(2,3-dichlorophenyl)-4-oxobut-2-enamide

Formula:C24H19N4O4Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(2,3-dichlorophenyl)-4-oxobut-2-enamide is not a drug-like molecule.

MolName	(E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(2,3-dichlorophenyl)-4-oxobut-2-enamide
MolecularFormula	C24H19N4O4Cl3S
Smiles	[O-][N+](c(cc(cc1)-c2csc(C(CC3)CCN3C(/C=C/C(Nc3cccc(Cl)c3Cl)=O)=O)n2)c1Cl)=O
InChI	InChI=1S/C24H19Cl3N4O4S/c25-16-5-4-15(12-20(16)31(34)35)19-13-36-24(29-19)14-8-10-30(11-9-14)22(33)7-6-21(32)28-18-3-1-2-17(26)23(18)27/h1-7,12-14H,8-11H2,(H,28,32)
InChIK	YCALJNIDVITVLA-UHFFFAOYSA-N
TotalMolweight	565.864
Molweight	565.864
MonoisotopicMass	564.019257
CLogP	5.3179
CLogS	-7.04
H Acceptors	8
H Donors	1
TotalSurfaceArea	395.21
Relative PSA	0.26022
PolarSurfaceArea	136.36
Druglikeness	-0.034168
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(2,3-dichlorophenyl)-4-oxobut-2-enamide | 2 - (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(2,3-dichlorophenyl)-4-oxobut-2-enamide

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