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

Formula:C28H27N3O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-[4-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide
MolecularFormula	C28H27N3O2Cl2S
Smiles	O=C(/C=C/C(N(CC1)CCC1c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=O)Nc1c(CCCC2)c2ccc1
InChI	InChI=1S/C28H27Cl2N3O2S/c29-22-9-8-20(16-23(22)30)25-17-36-28(32-25)19-12-14-33(15-13-19)27(35)11-10-26(34)31-24-7-3-5-18-4-1-2-6-21(18)24/h3,5,7-11,16-17,19H,1-2,4,6,12-15H2,(H,31,34)
InChIK	GSDJVMBIXIYLCH-UHFFFAOYSA-N
TotalMolweight	540.513
Molweight	540.513
MonoisotopicMass	539.120101
CLogP	6.7903
CLogS	-6.936
H Acceptors	5
H Donors	1
TotalSurfaceArea	397.66
Relative PSA	0.18212
PolarSurfaceArea	90.54
Druglikeness	-0.27607
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-4-[4-[4-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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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