1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide

Formula:C18H11N9O4BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
MolecularFormula	C18H11N9O4BrF
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)cc(Br)c2F)=O)c1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H11BrFN9O4/c19-12-7-9(1-6-13(12)20)8-22-24-18(30)14-15(10-2-4-11(5-3-10)29(31)32)28(27-23-14)17-16(21)25-33-26-17/h1-8H,(H2,21,25)(H,24,30)
InChIK	RNXPMALXDIUZFA-UHFFFAOYSA-N
TotalMolweight	516.246
Molweight	516.246
MonoisotopicMass	515.01014
CLogP	3.35
CLogS	-4.814
H Acceptors	13
H Donors	2
TotalSurfaceArea	337.61
Relative PSA	0.43411
PolarSurfaceArea	182.93
Druglikeness	-6.2221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments