N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide

Formula:C23H17N5O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.

MolName	N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
MolecularFormula	C23H17N5O3Cl2S
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(CSc2nc(cccc3)c3n2Cc(cccc2)c2Cl)=O)c1Cl)=O
InChI	InChI=1S/C23H17Cl2N5O3S/c24-18-6-2-1-5-15(18)13-29-21-8-4-3-7-20(21)27-23(29)34-14-22(31)28-26-12-16-11-17(30(32)33)9-10-19(16)25/h1-12H,13-14H2,(H,28,31)
InChIK	OMMPEZTZPWARDM-UHFFFAOYSA-N
TotalMolweight	514.392
Molweight	514.392
MonoisotopicMass	513.042914
CLogP	4.8664
CLogS	-6.628
H Acceptors	8
H Donors	1
TotalSurfaceArea	368.83
Relative PSA	0.2759
PolarSurfaceArea	130.4
Druglikeness	1.1605
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	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide

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