(2Z)-2-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C20H11N2OClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.

MolName	(2Z)-2-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C20H11N2OClS3
Smiles	O=C(/C(/S1)=C/c2ccc(Sc(cc3)ccc3Cl)s2)n2c1nc1c2cccc1
InChI	InChI=1S/C20H11ClN2OS3/c21-12-5-7-13(8-6-12)25-18-10-9-14(26-18)11-17-19(24)23-16-4-2-1-3-15(16)22-20(23)27-17/h1-11H
InChIK	CTSATUSJSRSFQW-UHFFFAOYSA-N
TotalMolweight	426.971
Molweight	426.971
MonoisotopicMass	425.9722
CLogP	6.0046
CLogS	-6.684
H Acceptors	3
TotalSurfaceArea	290.64
Relative PSA	0.29666
PolarSurfaceArea	113.73
Druglikeness	3.4795
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - (2Z)-2-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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