(5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H9N2O3Br2IS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H9N2O3Br2IS
Smiles	Oc(c(Br)cc(/C=C(\C(NC(N1c2cc(Br)ccc2)=S)=O)/C1=O)c1)c1I
InChI	InChI=1S/C17H9Br2IN2O3S/c18-9-2-1-3-10(7-9)22-16(25)11(15(24)21-17(22)26)4-8-5-12(19)14(23)13(20)6-8/h1-7,23H,(H,21,24,26)
InChIK	QDLMYCORFUDGDX-UHFFFAOYSA-N
TotalMolweight	608.043
Molweight	608.043
MonoisotopicMass	605.774533
CLogP	4.0577
CLogS	-6.359
H Acceptors	5
H Donors	2
TotalSurfaceArea	304.09
Relative PSA	0.27028
PolarSurfaceArea	101.73
Druglikeness	2.2855
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Request More Details | (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments