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

Formula:C22H15N7O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C22H15N7O3Cl2S
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(CSc2nnc(-c3ccncc3)n2-c(cc2)ccc2Cl)=O)c1Cl)=O
InChI	InChI=1S/C22H15Cl2N7O3S/c23-16-1-3-17(4-2-16)30-21(14-7-9-25-10-8-14)28-29-22(30)35-13-20(32)27-26-12-15-11-18(31(33)34)5-6-19(15)24/h1-12H,13H2,(H,27,32)
InChIK	JLQWKSHCTYTXIL-UHFFFAOYSA-N
TotalMolweight	528.379
Molweight	528.379
MonoisotopicMass	527.033412
CLogP	3.8213
CLogS	-9.553
H Acceptors	10
H Donors	1
TotalSurfaceArea	377.75
Relative PSA	0.32747
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	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
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-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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