(E)-N-[2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

Formula:C30H23N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
MolecularFormula	C30H23N3O3S2
Smiles	O=C(CSc1nc(ccc(NC(/C=C/c2ccccc2)=O)c2)c2s1)Nc(cc1)ccc1Oc1ccccc1
InChI	InChI=1S/C30H23N3O3S2/c34-28(18-11-21-7-3-1-4-8-21)32-23-14-17-26-27(19-23)38-30(33-26)37-20-29(35)31-22-12-15-25(16-13-22)36-24-9-5-2-6-10-24/h1-19H,20H2,(H,31,35)(H,32,34)
InChIK	VIISCIFYOGQEGL-UHFFFAOYSA-N
TotalMolweight	537.663
Molweight	537.663
MonoisotopicMass	537.118082
CLogP	6.3941
CLogS	-8.685
H Acceptors	6
H Donors	2
TotalSurfaceArea	408.01
Relative PSA	0.26426
PolarSurfaceArea	133.86
Druglikeness	0.30829
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	3
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-N-[2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

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