2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide

Formula:C26H28N10O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C26H28N10O6
Smiles	Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(c(N1CCOCC1)c1)cc([N+]([O-])=O)c1N1CCOCC1)=O
InChI	InChI=1S/C26H28N10O6/c27-25-24(31-42-32-25)26-29-18-3-1-2-4-19(18)35(26)16-23(37)30-28-15-17-13-22(36(38)39)21(34-7-11-41-12-8-34)14-20(17)33-5-9-40-10-6-33/h1-4,13-15H,5-12,16H2,(H2,27,32)(H,30,37)
InChIK	FLBAMXHRDQIPDX-UHFFFAOYSA-N
TotalMolweight	576.572
Molweight	576.572
MonoisotopicMass	576.21933
CLogP	0.594
CLogS	-4.409
H Acceptors	16
H Donors	2
TotalSurfaceArea	426.15
Relative PSA	0.38177
PolarSurfaceArea	194.98
Druglikeness	0.92879
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.42857
Fragments	1
Non HAtoms	42
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	14
Symmetricatoms	4
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	4
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide

Request More Details | 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments