1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-furan-3-ylmethylideneamino]triazole-4-carboxamide

Formula:C17H13N8O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-furan-3-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-furan-3-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C17H13N8O3ClS
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cocc2)=O)c1CSc(cc1)ccc1Cl
InChI	InChI=1S/C17H13ClN8O3S/c18-11-1-3-12(4-2-11)30-9-13-14(17(27)22-20-7-10-5-6-28-8-10)21-25-26(13)16-15(19)23-29-24-16/h1-8H,9H2,(H2,19,23)(H,22,27)
InChIK	IXOKUZCXROCHEI-UHFFFAOYSA-N
TotalMolweight	444.862
Molweight	444.862
MonoisotopicMass	444.051984
CLogP	3.4515
CLogS	-4.275
H Acceptors	11
H Donors	2
TotalSurfaceArea	325.32
Relative PSA	0.45414
PolarSurfaceArea	175.55
Druglikeness	2.1017
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-furan-3-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-furan-3-ylmethylideneamino]triazole-4-carboxamide

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