(5Z)-2-benzyl-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C23H13N3O2ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-2-benzyl-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-2-benzyl-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C23H13N3O2ClF3S
Smiles	O=C1n2nc(Cc3ccccc3)nc2S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C23H13ClF3N3O2S/c24-17-8-6-14(23(25,26)27)11-16(17)18-9-7-15(32-18)12-19-21(31)30-22(33-19)28-20(29-30)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIK	XCFOWCDHGSLUFC-UHFFFAOYSA-N
TotalMolweight	487.888
Molweight	487.888
MonoisotopicMass	487.036908
CLogP	5.811
CLogS	-7.374
H Acceptors	5
TotalSurfaceArea	334.04
Relative PSA	0.21988
PolarSurfaceArea	86.22
Druglikeness	-1.8035
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - (5Z)-2-benzyl-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-benzyl-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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