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

Formula:C25H21N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
MolecularFormula	C25H21N3O2S2
Smiles	O=C(CSc1nc(ccc(NC(/C=C/c2ccccc2)=O)c2)c2s1)NCc1ccccc1
InChI	InChI=1S/C25H21N3O2S2/c29-23(14-11-18-7-3-1-4-8-18)27-20-12-13-21-22(15-20)32-25(28-21)31-17-24(30)26-16-19-9-5-2-6-10-19/h1-15H,16-17H2,(H,26,30)(H,27,29)
InChIK	YMHSZXJMJBYZLT-UHFFFAOYSA-N
TotalMolweight	459.593
Molweight	459.593
MonoisotopicMass	459.107517
CLogP	4.7079
CLogS	-6.204
H Acceptors	5
H Donors	2
TotalSurfaceArea	352.01
Relative PSA	0.27789
PolarSurfaceArea	124.63
Druglikeness	0.79773
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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