2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole

Formula:C14H8N5O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole is a drug-like molecule.

MolName	2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole
MolecularFormula	C14H8N5O3BrS
Smiles	[O-][N+](c(cc1)cc2c1oc(SCc(nc1ncccn11)c1Br)n2)=O
InChI	InChI=1S/C14H8BrN5O3S/c15-12-10(17-13-16-4-1-5-19(12)13)7-24-14-18-9-6-8(20(21)22)2-3-11(9)23-14/h1-6H,7H2
InChIK	PATWHVWNSJDYAD-UHFFFAOYSA-N
TotalMolweight	406.22
Molweight	406.22
MonoisotopicMass	404.953121
CLogP	1.69
CLogS	-4.329
H Acceptors	8
TotalSurfaceArea	252.39
Relative PSA	0.40762
PolarSurfaceArea	127.34
Druglikeness	-5.7835
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	3
Aromatic Nitrogens	4
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole | 2 - 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole

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