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

Formula:C24H19N4O4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(4-bromophenyl)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-bromophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C24H19N4O4BrS
Smiles	[O-][N+](c(cccc1)c1N(CC1)CCN1C(S/C1=C/c2ccc(-c(cc3)ccc3Br)o2)=NC1=O)=O
InChI	InChI=1S/C24H19BrN4O4S/c25-17-7-5-16(6-8-17)21-10-9-18(33-21)15-22-23(30)26-24(34-22)28-13-11-27(12-14-28)19-3-1-2-4-20(19)29(31)32/h1-10,15H,11-14H2
InChIK	BYLVGGRAQXWULO-UHFFFAOYSA-N
TotalMolweight	539.409
Molweight	539.409
MonoisotopicMass	538.031037
CLogP	3.8731
CLogS	-7.011
H Acceptors	8
TotalSurfaceArea	356.33
Relative PSA	0.26287
PolarSurfaceArea	120.17
Druglikeness	0.11054
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
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

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

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