N-[5-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

Formula:C16H13N7O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is not a drug-like molecule.

MolName	N-[5-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
MolecularFormula	C16H13N7O4S
Smiles	O=C(Cc1nnc(NC(C(NC(N2)=O)=CC2=O)=O)s1)N/N=C\c1ccccc1
InChI	InChI=1S/C16H13N7O4S/c24-11-6-10(18-15(27)19-11)14(26)20-16-23-22-13(28-16)7-12(25)21-17-8-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,21,25)(H,20,23,26)(H2,18,19,24,27)
InChIK	AXOCYCIORHFFAW-UHFFFAOYSA-N
TotalMolweight	399.39
Molweight	399.39
MonoisotopicMass	399.074973
CLogP	0.3971
CLogS	-3.759
H Acceptors	11
H Donors	4
TotalSurfaceArea	293.05
Relative PSA	0.51803
PolarSurfaceArea	182.78
Druglikeness	6.4931
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	2
StereoCon

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1 - N-[5-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide | 2 - N-[5-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

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