3-(benzimidazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula:C19H14N6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(benzimidazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C19H14N6S
Smiles	C(c1nnc2sc(/C=C/c3ccccc3)nn12)n1c(cccc2)c2nc1
InChI	InChI=1S/C19H14N6S/c1-2-6-14(7-3-1)10-11-18-23-25-17(21-22-19(25)26-18)12-24-13-20-15-8-4-5-9-16(15)24/h1-11,13H,12H2
InChIK	ITBWBQGHNDUXQD-UHFFFAOYSA-N
TotalMolweight	358.428
Molweight	358.428
MonoisotopicMass	358.100064
CLogP	2.5357
CLogS	-1.052
H Acceptors	6
TotalSurfaceArea	273.07
Relative PSA	0.28952
PolarSurfaceArea	89.14
Druglikeness	5.1418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	6
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Request More Details | 3-(benzimidazol-1-ylmethyl)-6-[(E)-2-phenylethenyl]-[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