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

Formula:C26H22N3O2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-2-(4-benzylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-(4-benzylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C26H22N3O2F3S
Smiles	O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C26H22F3N3O2S/c27-26(28,29)20-8-4-7-19(15-20)22-10-9-21(34-22)16-23-24(33)30-25(35-23)32-13-11-31(12-14-32)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2
InChIK	WZZUIDKOBHABMF-UHFFFAOYSA-N
TotalMolweight	497.54
Molweight	497.54
MonoisotopicMass	497.138481
CLogP	4.8997
CLogS	-5.973
H Acceptors	5
TotalSurfaceArea	357.25
Relative PSA	0.17705
PolarSurfaceArea	74.35
Druglikeness	0.58278
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

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1 - (5E)-2-(4-benzylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-(4-benzylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one

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