(2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-(furan-2-yl)-3-oxobutanenitrile

Formula:C20H12N2O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-(furan-2-yl)-3-oxobutanenitrile is a drug-like molecule.

MolName	(2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-(furan-2-yl)-3-oxobutanenitrile
MolecularFormula	C20H12N2O3S
Smiles	N#C/C(/C(Cc1ccco1)=O)=C\c1ccc(-c2nc(cccc3)c3s2)o1
InChI	InChI=1S/C20H12N2O3S/c21-12-13(17(23)11-14-4-3-9-24-14)10-15-7-8-18(25-15)20-22-16-5-1-2-6-19(16)26-20/h1-10H,11H2
InChIK	PFUYKTIUMFCIDS-UHFFFAOYSA-N
TotalMolweight	360.392
Molweight	360.392
MonoisotopicMass	360.056863
CLogP	3.7461
CLogS	-4.47
H Acceptors	5
TotalSurfaceArea	279.39
Relative PSA	0.30835
PolarSurfaceArea	108.27
Druglikeness	-1.055
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-(furan-2-yl)-3-oxobutanenitrile | 2 - (2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-(furan-2-yl)-3-oxobutanenitrile

Request More Details | (2E)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-(furan-2-yl)-3-oxobutanenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments