(5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one

Formula:C24H20N4O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C24H20N4O4S
Smiles	[O-][N+](c(cccc1)c1N(CC1)CCN1C(S/C1=C/c2ccc(-c3ccccc3)o2)=NC1=O)=O
InChI	InChI=1S/C24H20N4O4S/c29-23-22(16-18-10-11-21(32-18)17-6-2-1-3-7-17)33-24(25-23)27-14-12-26(13-15-27)19-8-4-5-9-20(19)28(30)31/h1-11,16H,12-15H2
InChIK	HYBCHEUJDAIENQ-UHFFFAOYSA-N
TotalMolweight	460.513
Molweight	460.513
MonoisotopicMass	460.120526
CLogP	3.1479
CLogS	-6.177
H Acceptors	8
TotalSurfaceArea	337.7
Relative PSA	0.27738
PolarSurfaceArea	120.17
Druglikeness	1.9005
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one

Request More Details | (5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments