1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide

Formula:C20H15N10O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide
MolecularFormula	C20H15N10O2ClS
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2Cl)=O)c1CSc1nc(cccc2)c2[nH]1
InChI	InChI=1S/C20H15ClN10O2S/c21-12-7-5-11(6-8-12)9-23-27-19(32)16-15(31(30-26-16)18-17(22)28-33-29-18)10-34-20-24-13-3-1-2-4-14(13)25-20/h1-9H,10H2,(H2,22,28)(H,24,25)(H,27,32)
InChIK	IOXLFSNEZKKMRQ-UHFFFAOYSA-N
TotalMolweight	494.926
Molweight	494.926
MonoisotopicMass	494.078867
CLogP	4.1585
CLogS	-4.597
H Acceptors	12
H Donors	3
TotalSurfaceArea	358.56
Relative PSA	0.4423
PolarSurfaceArea	191.09
Druglikeness	2.4199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	7
BasicNitrogens	1
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide

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