3-[4-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile

Formula:C21H19N4O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[4-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile is a drug-like molecule.

MolName	3-[4-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
MolecularFormula	C21H19N4O2ClS
Smiles	N#CCCN(CC1)CCN1C(S/C1=C/c2ccc(-c(cc3)ccc3Cl)o2)=NC1=O
InChI	InChI=1S/C21H19ClN4O2S/c22-16-4-2-15(3-5-16)18-7-6-17(28-18)14-19-20(27)24-21(29-19)26-12-10-25(11-13-26)9-1-8-23/h2-7,14H,1,9-13H2
InChIK	CXUAFEOWXBRMHI-UHFFFAOYSA-N
TotalMolweight	426.927
Molweight	426.927
MonoisotopicMass	426.091723
CLogP	3.3456
CLogS	-5.326
H Acceptors	6
TotalSurfaceArea	318.92
Relative PSA	0.24084
PolarSurfaceArea	98.14
Druglikeness	1.8813
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - 3-[4-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile | 2 - 3-[4-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile

Request More Details | 3-[4-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments