(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide

Formula:C22H14N5O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide
MolecularFormula	C22H14N5O2ClS
Smiles	O=C(/C=C/c1ccc(-c(cc2)ccc2Cl)o1)Nc1cc(-c(s2)nn3c2nnc3)ccc1
InChI	InChI=1S/C22H14ClN5O2S/c23-16-6-4-14(5-7-16)19-10-8-18(30-19)9-11-20(29)25-17-3-1-2-15(12-17)21-27-28-13-24-26-22(28)31-21/h1-13H,(H,25,29)
InChIK	OPOPUYKVJXZSSJ-UHFFFAOYSA-N
TotalMolweight	447.905
Molweight	447.905
MonoisotopicMass	447.055672
CLogP	4.1959
CLogS	-4.343
H Acceptors	7
H Donors	1
TotalSurfaceArea	330.83
Relative PSA	0.30176
PolarSurfaceArea	113.56
Druglikeness	4.333
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide | 2 - (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide

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