Menu

3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide

Formula:C18H18N9O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
MolName3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide
MolecularFormulaC18H18N9O3F3
SmilesNc1nonc1-n1nnc(CN2CCOCC2)c1C(N/N=C\c1ccc(C(F)(F)F)cc1)=O
InChIInChI=1S/C18H18F3N9O3/c19-18(20,21)12-3-1-11(2-4-12)9-23-25-17(31)14-13(10-29-5-7-32-8-6-29)24-28-30(14)16-15(22)26-33-27-16/h1-4,9H,5-8,10H2,(H2,22,26)(H,25,31)
InChIKHZDADEQHLRTYDE-UHFFFAOYSA-N
TotalMolweight465.395
Molweight465.395
MonoisotopicMass465.14847
CLogP2.1896
CLogS-1.811
H Acceptors12
H Donors2
TotalSurfaceArea334.26
Relative PSA0.38799
PolarSurfaceArea149.58
Druglikeness-4.7729
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms8
Symmetricatoms6
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

Request More Details | 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide


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