3-(2-phenylethyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula:C17H14N4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-phenylethyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(2-phenylethyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H14N4S2
Smiles	C(Cc1ccccc1)c1nnc2sc(/C=C/c3cccs3)nn12
InChI	InChI=1S/C17H14N4S2/c1-2-5-13(6-3-1)8-10-15-18-19-17-21(15)20-16(23-17)11-9-14-7-4-12-22-14/h1-7,9,11-12H,8,10H2
InChIK	JHJIDTRKYPMOJM-UHFFFAOYSA-N
TotalMolweight	338.458
Molweight	338.458
MonoisotopicMass	338.065986
CLogP	3.5138
CLogS	-2.036
H Acceptors	4
TotalSurfaceArea	260.21
Relative PSA	0.31352
PolarSurfaceArea	99.56
Druglikeness	3.2383
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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1 - 3-(2-phenylethyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-(2-phenylethyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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