N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C24H18N6O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C24H18N6O5S
Smiles	[O-][N+](c1cccc(-c(n2-c3ccccc3)nnc2SCC(N/N=C\c(cc2)cc3c2OCO3)=O)c1)=O
InChI	InChI=1S/C24H18N6O5S/c31-22(26-25-13-16-9-10-20-21(11-16)35-15-34-20)14-36-24-28-27-23(29(24)18-6-2-1-3-7-18)17-5-4-8-19(12-17)30(32)33/h1-13H,14-15H2,(H,26,31)
InChIK	RLYQXGJKVZTPQE-UHFFFAOYSA-N
TotalMolweight	502.51
Molweight	502.51
MonoisotopicMass	502.105939
CLogP	3.7216
CLogS	-9.587
H Acceptors	11
H Donors	1
TotalSurfaceArea	368.41
Relative PSA	0.36028
PolarSurfaceArea	161.75
Druglikeness	0.20211
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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