(E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide

Formula:C28H27N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-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]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide
MolecularFormula	C28H27N4O4ClS
Smiles	[O-][N+](c(cc(cc1)-c2csc(C(CC3)CCN3C(/C=C/C(Nc3c(CCCC4)c4ccc3)=O)=O)n2)c1Cl)=O
InChI	InChI=1S/C28H27ClN4O4S/c29-22-9-8-20(16-25(22)33(36)37)24-17-38-28(31-24)19-12-14-32(15-13-19)27(35)11-10-26(34)30-23-7-3-5-18-4-1-2-6-21(18)23/h3,5,7-11,16-17,19H,1-2,4,6,12-15H2,(H,30,34)
InChIK	APKIQXXJNXAZBQ-UHFFFAOYSA-N
TotalMolweight	551.065
Molweight	551.065
MonoisotopicMass	550.144153
CLogP	5.2627
CLogS	-6.66
H Acceptors	8
H Donors	1
TotalSurfaceArea	405.91
Relative PSA	0.25336
PolarSurfaceArea	136.36
Druglikeness	-5.2942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
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]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide | 2 - (E)-4-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide

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