(E)-N-[5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula:C25H20N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C25H20N4O3S2
Smiles	O=C(CSc1nnc(NC(/C=C/c2ccccc2)=O)s1)Nc(cc1)ccc1Oc1ccccc1
InChI	InChI=1S/C25H20N4O3S2/c30-22(16-11-18-7-3-1-4-8-18)27-24-28-29-25(34-24)33-17-23(31)26-19-12-14-21(15-13-19)32-20-9-5-2-6-10-20/h1-16H,17H2,(H,26,31)(H,27,28,30)
InChIK	TVZZNTMVMCRJGT-UHFFFAOYSA-N
TotalMolweight	488.591
Molweight	488.591
MonoisotopicMass	488.097681
CLogP	5.2299
CLogS	-7.628
H Acceptors	7
H Donors	2
TotalSurfaceArea	372.17
Relative PSA	0.31918
PolarSurfaceArea	146.75
Druglikeness	1.9074
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - (E)-N-[5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

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