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

Formula:C20H17N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-5-[(3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C20H17N5O5S
Smiles	[O-][N+](c1cccc(/C=C2/SC(N(CC3)CCN3c(cccc3)c3[N+]([O-])=O)=NC2=O)c1)=O
InChI	InChI=1S/C20H17N5O5S/c26-19-18(13-14-4-3-5-15(12-14)24(27)28)31-20(21-19)23-10-8-22(9-11-23)16-6-1-2-7-17(16)25(29)30/h1-7,12-13H,8-11H2
InChIK	TZHMZLBYHYKZDJ-UHFFFAOYSA-N
TotalMolweight	439.451
Molweight	439.451
MonoisotopicMass	439.09504
CLogP	1.2874
CLogS	-5.177
H Acceptors	10
TotalSurfaceArea	311.92
Relative PSA	0.35259
PolarSurfaceArea	152.85
Druglikeness	1.1825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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