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

Formula:C22H13N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-2-benzyl-5-[[5-(2,6-dichlorophenyl)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-(2,6-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C22H13N3O2Cl2S
Smiles	O=C1n2nc(Cc3ccccc3)nc2S/C1=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1
InChI	InChI=1S/C22H13Cl2N3O2S/c23-15-7-4-8-16(24)20(15)17-10-9-14(29-17)12-18-21(28)27-22(30-18)25-19(26-27)11-13-5-2-1-3-6-13/h1-10,12H,11H2
InChIK	QACJIIHKMMVXTK-UHFFFAOYSA-N
TotalMolweight	454.336
Molweight	454.336
MonoisotopicMass	453.010551
CLogP	5.5687
CLogS	-7.332
H Acceptors	5
TotalSurfaceArea	320
Relative PSA	0.22953
PolarSurfaceArea	86.22
Druglikeness	5.3865
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	5
Aromatic Nitrogens	3
StereoCon

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

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