3-(4-bromophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula:C17H10N4BrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-bromophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(4-bromophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H10N4BrFS
Smiles	Fc1ccc(/C=C/c(s2)nn3c2nnc3-c(cc2)ccc2Br)cc1
InChI	InChI=1S/C17H10BrFN4S/c18-13-6-4-12(5-7-13)16-20-21-17-23(16)22-15(24-17)10-3-11-1-8-14(19)9-2-11/h1-10H
InChIK	GEIPQRNJKCMOFI-UHFFFAOYSA-N
TotalMolweight	401.262
Molweight	401.262
MonoisotopicMass	399.979355
CLogP	4.0253
CLogS	-4.397
H Acceptors	4
TotalSurfaceArea	261.73
Relative PSA	0.23391
PolarSurfaceArea	71.32
Druglikeness	0.33491
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

Click to Load Molecule:

1 - 3-(4-bromophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-(4-bromophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Request More Details | 3-(4-bromophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments