(4Z)-2-(4-bromophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one

Formula:C20H17N4O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(4-bromophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(4-bromophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C20H17N4O4Br
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1/C=C1\N=C(c(cc2)ccc2Br)OC1=O)=O
InChI	InChI=1S/C20H17BrN4O4/c21-15-3-1-14(2-4-15)19-22-18(20(26)29-19)13-23-9-11-24(12-10-23)16-5-7-17(8-6-16)25(27)28/h1-8,13H,9-12H2
InChIK	SRKIDEBTUJVWMH-UHFFFAOYSA-N
TotalMolweight	457.283
Molweight	457.283
MonoisotopicMass	456.043317
CLogP	1.6975
CLogS	-4.704
H Acceptors	8
TotalSurfaceArea	299.39
Relative PSA	0.24072
PolarSurfaceArea	90.96
Druglikeness	-2.035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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1 - (4Z)-2-(4-bromophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(4-bromophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one

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