N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide

Formula:C13H12N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide is not a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
MolecularFormula	C13H12N6O5
Smiles	O=C(CNC(C(N1)=O)=NNC1=O)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C13H12N6O5/c20-10(5-14-11-12(21)16-13(22)19-18-11)17-15-4-7-1-2-8-9(3-7)24-6-23-8/h1-4H,5-6H2,(H,14,18)(H,17,20)(H2,16,19,21,22)
InChIK	VUIWCTVEOKVCEN-UHFFFAOYSA-N
TotalMolweight	332.275
Molweight	332.275
MonoisotopicMass	332.086919
CLogP	-0.544
CLogS	-3.647
H Acceptors	11
H Donors	4
TotalSurfaceArea	240.6
Relative PSA	0.53192
PolarSurfaceArea	142.51
Druglikeness	6.7236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide

Request More Details | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments