2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide

Formula:C23H17N2OClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide is not a drug-like molecule.

MolName	2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
MolecularFormula	C23H17N2OClS2
Smiles	O=C(CSc1nc(cc(cc2)Cl)c2s1)Nc1ccc(/C=C/c2ccccc2)cc1
InChI	InChI=1S/C23H17ClN2OS2/c24-18-10-13-21-20(14-18)26-23(29-21)28-15-22(27)25-19-11-8-17(9-12-19)7-6-16-4-2-1-3-5-16/h1-14H,15H2,(H,25,27)
InChIK	IZJHTJWNRAICHW-UHFFFAOYSA-N
TotalMolweight	436.986
Molweight	436.986
MonoisotopicMass	436.04708
CLogP	6.3348
CLogS	-7.378
H Acceptors	3
H Donors	1
TotalSurfaceArea	324.46
Relative PSA	0.22598
PolarSurfaceArea	95.53
Druglikeness	1.7045
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide | 2 - 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide

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