(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H12N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H12N2O4S
Smiles	Oc(ccc(/C=C(\C(NC(N1c2ccccc2)=S)=O)/C1=O)c1)c1O
InChI	InChI=1S/C17H12N2O4S/c20-13-7-6-10(9-14(13)21)8-12-15(22)18-17(24)19(16(12)23)11-4-2-1-3-5-11/h1-9,20-21H,(H,18,22,24)
InChIK	JLIPNSYRZZWYLQ-UHFFFAOYSA-N
TotalMolweight	340.358
Molweight	340.358
MonoisotopicMass	340.051778
CLogP	1.8245
CLogS	-3.379
H Acceptors	6
H Donors	3
TotalSurfaceArea	246.9
Relative PSA	0.38595
PolarSurfaceArea	121.96
Druglikeness	3.6133
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Request More Details | (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments