(2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C20H10N2O2Br2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.

MolName	(2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C20H10N2O2Br2S
Smiles	O=C(/C(/S1)=C/c2ccc(-c(cc(cc3)Br)c3Br)o2)n2c1nc1c2cccc1
InChI	InChI=1S/C20H10Br2N2O2S/c21-11-5-7-14(22)13(9-11)17-8-6-12(26-17)10-18-19(25)24-16-4-2-1-3-15(16)23-20(24)27-18/h1-10H
InChIK	XNPIODBAUSKYGW-UHFFFAOYSA-N
TotalMolweight	502.185
Molweight	502.185
MonoisotopicMass	499.88297
CLogP	5.8955
CLogS	-7.263
H Acceptors	4
TotalSurfaceArea	288.74
Relative PSA	0.21639
PolarSurfaceArea	73.33
Druglikeness	2.4918
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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1 - (2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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