1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

Formula:C25H19N8O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C25H19N8O3F
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc(cccc2)c2F)=O)c1-c1ccccc1
InChI	InChI=1S/C25H19FN8O3/c26-20-9-5-4-8-18(20)15-36-19-12-10-16(11-13-19)14-28-30-25(35)21-22(17-6-2-1-3-7-17)34(33-29-21)24-23(27)31-37-32-24/h1-14H,15H2,(H2,27,31)(H,30,35)
InChIK	NJOFTCWQCZWQJP-UHFFFAOYSA-N
TotalMolweight	498.477
Molweight	498.477
MonoisotopicMass	498.156415
CLogP	4.8945
CLogS	-4.861
H Acceptors	11
H Donors	2
TotalSurfaceArea	378.83
Relative PSA	0.33297
PolarSurfaceArea	146.34
Druglikeness	0.3808
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

Click to Load Molecule:

1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments