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

Formula:C17H12N2O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(4-hydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(4-hydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H12N2O3S
Smiles	Oc1ccc(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)cc1
InChI	InChI=1S/C17H12N2O3S/c20-13-8-6-11(7-9-13)10-14-15(21)18-17(23)19(16(14)22)12-4-2-1-3-5-12/h1-10,20H,(H,18,21,23)
InChIK	XKSKZIGHCDAODD-UHFFFAOYSA-N
TotalMolweight	324.359
Molweight	324.359
MonoisotopicMass	324.056863
CLogP	2.1702
CLogS	-3.675
H Acceptors	5
H Donors	2
TotalSurfaceArea	240.55
Relative PSA	0.34168
PolarSurfaceArea	101.73
Druglikeness	3.6133
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

Click to Load Molecule:

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

Request More Details | (5E)-5-[(4-hydroxyphenyl)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