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

Formula:C23H17N8O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C23H17N8O3ClS
Smiles	[O-][N+](c1ccc(/C=N\NC(CSc2nnc(-c3ccncc3)n2/N=C\c(cc2)ccc2Cl)=O)cc1)=O
InChI	InChI=1S/C23H17ClN8O3S/c24-19-5-1-17(2-6-19)14-27-31-22(18-9-11-25-12-10-18)29-30-23(31)36-15-21(33)28-26-13-16-3-7-20(8-4-16)32(34)35/h1-14H,15H2,(H,28,33)
InChIK	VDVWDAPYDIRTRH-UHFFFAOYSA-N
TotalMolweight	520.96
Molweight	520.96
MonoisotopicMass	520.083284
CLogP	3.5517
CLogS	-9.272
H Acceptors	11
H Donors	1
TotalSurfaceArea	387.09
Relative PSA	0.3493
PolarSurfaceArea	168.54
Druglikeness	0.73028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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

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