2-[[(5E)-5-[(3-bromophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Formula:C13H10N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(5E)-5-[(3-bromophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	2-[[(5E)-5-[(3-bromophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
MolecularFormula	C13H10N3O3BrS
Smiles	NC(CSC(NC(/C1=C\c2cccc(Br)c2)=O)=NC1=O)=O
InChI	InChI=1S/C13H10BrN3O3S/c14-8-3-1-2-7(4-8)5-9-11(19)16-13(17-12(9)20)21-6-10(15)18/h1-5H,6H2,(H2,15,18)(H,16,17,19,20)
InChIK	NFWSRVVVWBGUEX-UHFFFAOYSA-N
TotalMolweight	368.21
Molweight	368.21
MonoisotopicMass	366.962623
CLogP	0.5127
CLogS	-3.706
H Acceptors	6
H Donors	2
TotalSurfaceArea	230.55
Relative PSA	0.41141
PolarSurfaceArea	126.92
Druglikeness	2.1225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - 2-[[(5E)-5-[(3-bromophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide | 2 - 2-[[(5E)-5-[(3-bromophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Request More Details | 2-[[(5E)-5-[(3-bromophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments