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

Formula:C22H16N7O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloro-5-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-chloro-5-nitrophenyl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C22H16N7O3ClS
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(CSc2nnc(-c3ccncc3)n2-c2ccccc2)=O)c1Cl)=O
InChI	InChI=1S/C22H16ClN7O3S/c23-19-7-6-18(30(32)33)12-16(19)13-25-26-20(31)14-34-22-28-27-21(15-8-10-24-11-9-15)29(22)17-4-2-1-3-5-17/h1-13H,14H2,(H,26,31)
InChIK	KADBNQISHIHDLK-UHFFFAOYSA-N
TotalMolweight	493.934
Molweight	493.934
MonoisotopicMass	493.072385
CLogP	3.2153
CLogS	-8.817
H Acceptors	10
H Donors	1
TotalSurfaceArea	362.33
Relative PSA	0.3414
PolarSurfaceArea	156.18
Druglikeness	0.3391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
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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1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

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