2-[(E)-4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbut-2-enyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile

Formula:C40H28N4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbut-2-enyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile is not a drug-like molecule.

MolName	2-[(E)-4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbut-2-enyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile
MolecularFormula	C40H28N4S2
Smiles	N#Cc(c(SC/C=C/CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)nc(-c1ccccc1)c1)c1-c1ccccc1
InChI	InChI=1S/C40H28N4S2/c41-27-35-33(29-15-5-1-6-16-29)25-37(31-19-9-3-10-20-31)43-39(35)45-23-13-14-24-46-40-36(28-42)34(30-17-7-2-8-18-30)26-38(44-40)32-21-11-4-12-22-32/h1-22,25-26H,23-24H2
InChIK	MPFNPMFMOZXHOW-UHFFFAOYSA-N
TotalMolweight	628.822
Molweight	628.822
MonoisotopicMass	628.175536
CLogP	9.63
CLogS	-11.93
H Acceptors	4
TotalSurfaceArea	502
Relative PSA	0.16741
PolarSurfaceArea	123.96
Druglikeness	-4.8774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43478
Fragments	1
Non HAtoms	46
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	10
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	36
Sp3Atoms	4
Symmetricatoms	27
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 2-[(E)-4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbut-2-enyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile | 2 - 2-[(E)-4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbut-2-enyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile

Request More Details | 2-[(E)-4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbut-2-enyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments