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

Formula:C22H16N7O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C22H16N7O3ClS
Smiles	[O-][N+](c1cccc(/C=N\NC(CSc2nnc(-c3ccncc3)n2-c(cc2)ccc2Cl)=O)c1)=O
InChI	InChI=1S/C22H16ClN7O3S/c23-17-4-6-18(7-5-17)29-21(16-8-10-24-11-9-16)27-28-22(29)34-14-20(31)26-25-13-15-2-1-3-19(12-15)30(32)33/h1-13H,14H2,(H,26,31)
InChIK	FSULUFDNENNTOW-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 - 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

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