(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

Formula:C25H15N2O3BrS Mutagenic:low Tumorigenic:none Reproductive Effective:none (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is not a drug-like molecule.

MolName	(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
MolecularFormula	C25H15N2O3BrS
Smiles	O=C(/C(/S1)=C/c(cc2OCOc2c2)c2Br)n2c1nc(-c1ccccc1)c2-c1ccccc1
InChI	InChI=1S/C25H15BrN2O3S/c26-18-13-20-19(30-14-31-20)11-17(18)12-21-24(29)28-23(16-9-5-2-6-10-16)22(27-25(28)32-21)15-7-3-1-4-8-15/h1-13H,14H2
InChIK	ZPMVOTJVPBUPKQ-UHFFFAOYSA-N
TotalMolweight	503.375
Molweight	503.375
MonoisotopicMass	501.998674
CLogP	6.4038
CLogS	-7.84
H Acceptors	5
TotalSurfaceArea	325.84
Relative PSA	0.20983
PolarSurfaceArea	78.65
Druglikeness	1.7084
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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1 - (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one | 2 - (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

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