Menu

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

Formula:C17H13N8O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide is a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
MolecularFormulaC17H13N8O2ClS2
SmilesNc1nonc1-n1nnc(C(N/N=C\c2cccs2)=O)c1CSc(cc1)ccc1Cl
InChIInChI=1S/C17H13ClN8O2S2/c18-10-3-5-11(6-4-10)30-9-13-14(17(27)22-20-8-12-2-1-7-29-12)21-25-26(13)16-15(19)23-28-24-16/h1-8H,9H2,(H2,19,23)(H,22,27)
InChIKIWDGLUUSEWSZOG-UHFFFAOYSA-N
TotalMolweight460.929
Molweight460.929
MonoisotopicMass460.029139
CLogP4.1834
CLogS-4.627
H Acceptors10
H Donors2
TotalSurfaceArea331.57
Relative PSA0.46443
PolarSurfaceArea190.65
Druglikeness3.3949
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens5
StereoCon

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


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments