2-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole

Formula:C15H8N4O2BrClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole
MolecularFormula	C15H8N4O2BrClS2
Smiles	[O-][N+](c(cc1)cc2c1sc(SCc(nc(cc1)n3cc1Cl)c3Br)n2)=O
InChI	InChI=1S/C15H8BrClN4O2S2/c16-14-11(18-13-4-1-8(17)6-20(13)14)7-24-15-19-10-5-9(21(22)23)2-3-12(10)25-15/h1-6H,7H2
InChIK	JPGXECLBJCBMRP-UHFFFAOYSA-N
TotalMolweight	455.744
Molweight	455.744
MonoisotopicMass	453.896054
CLogP	3.456
CLogS	-7.979
H Acceptors	6
TotalSurfaceArea	275.3
Relative PSA	0.35656
PolarSurfaceArea	129.55
Druglikeness	-6.6515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	3
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole | 2 - 2-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole

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