(E)-N-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

Formula:C24H17N3O2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
MolecularFormula	C24H17N3O2Cl2S2
Smiles	O=C(CSc1nc(ccc(NC(/C=C/c2ccccc2)=O)c2)c2s1)Nc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C24H17Cl2N3O2S2/c25-18-9-7-16(12-19(18)26)28-23(31)14-32-24-29-20-10-8-17(13-21(20)33-24)27-22(30)11-6-15-4-2-1-3-5-15/h1-13H,14H2,(H,27,30)(H,28,31)
InChIK	KCKDYUYAJKKWNW-UHFFFAOYSA-N
TotalMolweight	514.456
Molweight	514.456
MonoisotopicMass	513.013921
CLogP	6.2105
CLogS	-7.86
H Acceptors	5
H Donors	2
TotalSurfaceArea	369.09
Relative PSA	0.26503
PolarSurfaceArea	124.63
Druglikeness	0.3822
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-N-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

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