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

Formula:C24H20N3O2BrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-[4-(3-bromophenyl)-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-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(2,3-dichlorophenyl)-4-oxobut-2-enamide
MolecularFormula	C24H20N3O2BrCl2S
Smiles	O=C(/C=C/C(N(CC1)CCC1c1nc(-c2cccc(Br)c2)cs1)=O)Nc(cccc1Cl)c1Cl
InChI	InChI=1S/C24H20BrCl2N3O2S/c25-17-4-1-3-16(13-17)20-14-33-24(29-20)15-9-11-30(12-10-15)22(32)8-7-21(31)28-19-6-2-5-18(26)23(19)27/h1-8,13-15H,9-12H2,(H,28,31)
InChIK	UWNIXZHOJGLEPE-UHFFFAOYSA-N
TotalMolweight	565.318
Molweight	565.318
MonoisotopicMass	562.983662
CLogP	6.3587
CLogS	-6.678
H Acceptors	5
H Donors	1
TotalSurfaceArea	374.75
Relative PSA	0.19325
PolarSurfaceArea	90.54
Druglikeness	3.1939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.60606
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	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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