2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Formula:C14H13N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C14H13N5O3S
Smiles	O=C(CSC(C(N1)=O)=NNC1=O)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C14H13N5O3S/c20-11(9-23-13-12(21)16-14(22)19-18-13)17-15-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,20)(H2,16,19,21,22)
InChIK	OWJDEXJMHRUAKK-UHFFFAOYSA-N
TotalMolweight	331.355
Molweight	331.355
MonoisotopicMass	331.07391
CLogP	0.1168
CLogS	-3.218
H Acceptors	8
H Donors	3
TotalSurfaceArea	252.87
Relative PSA	0.45086
PolarSurfaceArea	137.32
Druglikeness	6.9767
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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