Menu

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide

Formula:C19H13N8O3Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:low 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide
MolecularFormulaC19H13N8O3Cl2F
SmilesNc1nonc1-n1nnc(C(N/N=C\c(c(Cl)ccc2)c2Cl)=O)c1COc(cc1)ccc1F
InChIInChI=1S/C19H13Cl2FN8O3/c20-13-2-1-3-14(21)12(13)8-24-26-19(31)16-15(9-32-11-6-4-10(22)5-7-11)30(29-25-16)18-17(23)27-33-28-18/h1-8H,9H2,(H2,23,27)(H,26,31)
InChIKLEWFZLABEBYXRF-UHFFFAOYSA-N
TotalMolweight491.269
Molweight491.269
MonoisotopicMass490.047169
CLogP4.4103
CLogS-4.579
H Acceptors11
H Donors2
TotalSurfaceArea349.91
Relative PSA0.36049
PolarSurfaceArea146.34
Druglikeness0.41789
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms5
Aromatic Nitrogens5
StereoCon

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide


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