1-N',6-N'-bis(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediimidamide

Formula:C20H12N6F8S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-N',6-N'-bis(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediimidamide is not a drug-like molecule.

MolName	1-N',6-N'-bis(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediimidamide
MolecularFormula	C20H12N6F8S2
Smiles	N/C(/C(C(C(C(/C(/N)=N\c1nc(cccc2)c2s1)(F)F)(F)F)(F)F)(F)F)=N/c1nc(cccc2)c2s1
InChI	InChI=1S/C20H12F8N6S2/c21-17(22,13(29)33-15-31-9-5-1-3-7-11(9)35-15)19(25,26)20(27,28)18(23,24)14(30)34-16-32-10-6-2-4-8-12(10)36-16/h1-8H,(H2,29,31,33)(H2,30,32,34)
InChIK	SSVOWPCSRCPFSU-UHFFFAOYSA-N
TotalMolweight	552.473
Molweight	552.473
MonoisotopicMass	552.043708
CLogP	4.9508
CLogS	-7.328
H Acceptors	6
H Donors	2
TotalSurfaceArea	347.04
Relative PSA	0.33489
PolarSurfaceArea	159.02
Druglikeness	-64.154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	20
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - 1-N',6-N'-bis(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediimidamide | 2 - 1-N',6-N'-bis(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediimidamide

Request More Details | 1-N',6-N'-bis(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediimidamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments