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

Formula:C18H11N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide
MolecularFormula	C18H11N5OCl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1cc(-c(s2)nn3c2nnc3)ccc1
InChI	InChI=1S/C18H11Cl2N5OS/c19-13-6-4-11(15(20)9-13)5-7-16(26)22-14-3-1-2-12(8-14)17-24-25-10-21-23-18(25)27-17/h1-10H,(H,22,26)
InChIK	ZYZVQCOWUDPCAM-UHFFFAOYSA-N
TotalMolweight	416.291
Molweight	416.291
MonoisotopicMass	415.006134
CLogP	3.863
CLogS	-3.619
H Acceptors	6
H Donors	1
TotalSurfaceArea	296.8
Relative PSA	0.28881
PolarSurfaceArea	100.42
Druglikeness	3.2754
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Amides	1
Aromatic Nitrogens	4
StereoCon

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

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