N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula:C22H17N7O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C22H17N7O3S
Smiles	[O-][N+](c1c(/C=N\NC(CSc2nnc(-c3ccncc3)n2-c2ccccc2)=O)cccc1)=O
InChI	InChI=1S/C22H17N7O3S/c30-20(25-24-14-17-6-4-5-9-19(17)29(31)32)15-33-22-27-26-21(16-10-12-23-13-11-16)28(22)18-7-2-1-3-8-18/h1-14H,15H2,(H,25,30)
InChIK	BZZIVMNBYLVWJZ-UHFFFAOYSA-N
TotalMolweight	459.489
Molweight	459.489
MonoisotopicMass	459.111358
CLogP	2.6093
CLogS	-8.081
H Acceptors	10
H Donors	1
TotalSurfaceArea	346.91
Relative PSA	0.35658
PolarSurfaceArea	156.18
Druglikeness	0.30503
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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