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

Formula:C24H19N5O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C24H19N5O6S
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C2/SC(N(CC3)CCN3c(cccc3)c3[N+]([O-])=O)=NC2=O)o1)=O
InChI	InChI=1S/C24H19N5O6S/c30-23-22(15-18-9-10-21(35-18)16-5-7-17(8-6-16)28(31)32)36-24(25-23)27-13-11-26(12-14-27)19-3-1-2-4-20(19)29(33)34/h1-10,15H,11-14H2
InChIK	LNBZIGYNURQUTL-UHFFFAOYSA-N
TotalMolweight	505.51
Molweight	505.51
MonoisotopicMass	505.105605
CLogP	2.2263
CLogS	-6.637
H Acceptors	11
TotalSurfaceArea	361.37
Relative PSA	0.34339
PolarSurfaceArea	165.99
Druglikeness	1.9005
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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

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