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

Formula:C28H26N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-2-(4-benzylpiperazin-1-yl)-5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5E)-2-(4-benzylpiperazin-1-yl)-5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C28H26N4O4S
Smiles	[O-][N+](c1ccc(COc2c(/C=C3/SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)cccc2)cc1)=O
InChI	InChI=1S/C28H26N4O4S/c33-27-26(37-28(29-27)31-16-14-30(15-17-31)19-21-6-2-1-3-7-21)18-23-8-4-5-9-25(23)36-20-22-10-12-24(13-11-22)32(34)35/h1-13,18H,14-17,19-20H2
InChIK	PHIDMCRJPSCRCP-UHFFFAOYSA-N
TotalMolweight	514.604
Molweight	514.604
MonoisotopicMass	514.167476
CLogP	2.5535
CLogS	-5.536
H Acceptors	8
TotalSurfaceArea	385.53
Relative PSA	0.2323
PolarSurfaceArea	116.26
Druglikeness	1.7721
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62162
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
Amines	1
AlkylAmines	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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