1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

Formula:C20H16N8O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C20H16N8O4S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)cc3c2OCO3)=O)c1CSc1ccccc1
InChI	InChI=1S/C20H16N8O4S/c21-18-19(26-32-25-18)28-14(10-33-13-4-2-1-3-5-13)17(23-27-28)20(29)24-22-9-12-6-7-15-16(8-12)31-11-30-15/h1-9H,10-11H2,(H2,21,25)(H,24,29)
InChIK	GXRYGLWERLKKEY-UHFFFAOYSA-N
TotalMolweight	464.465
Molweight	464.465
MonoisotopicMass	464.101522
CLogP	3.8222
CLogS	-4.592
H Acceptors	12
H Donors	2
TotalSurfaceArea	340.47
Relative PSA	0.45123
PolarSurfaceArea	180.87
Druglikeness	2.1736
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

Click to Load Molecule:

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

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments