2-[[(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Formula:C13H10N3O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	2-[[(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
MolecularFormula	C13H10N3O4BrS
Smiles	NC(CSC(NC(/C1=C\c(cc(cc2)Br)c2O)=O)=NC1=O)=O
InChI	InChI=1S/C13H10BrN3O4S/c14-7-1-2-9(18)6(3-7)4-8-11(20)16-13(17-12(8)21)22-5-10(15)19/h1-4,18H,5H2,(H2,15,19)(H,16,17,20,21)
InChIK	MDTFIXORMXDMOH-UHFFFAOYSA-N
TotalMolweight	384.209
Molweight	384.209
MonoisotopicMass	382.957538
CLogP	0.167
CLogS	-3.41
H Acceptors	7
H Donors	3
TotalSurfaceArea	236.9
Relative PSA	0.45568
PolarSurfaceArea	147.15
Druglikeness	2.1385
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
StereoCon

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1 - 2-[[(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide | 2 - 2-[[(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

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