4-amino-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C18H22N8O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C18H22N8O6
Smiles	Nc1nonc1C(N/N=C\c(c(N1CCOCC1)c1)cc([N+]([O-])=O)c1N1CCOCC1)=O
InChI	InChI=1S/C18H22N8O6/c19-17-16(22-32-23-17)18(27)21-20-11-12-9-15(26(28)29)14(25-3-7-31-8-4-25)10-13(12)24-1-5-30-6-2-24/h9-11H,1-8H2,(H2,19,23)(H,21,27)
InChIK	XYSZHSFJBPJWBK-UHFFFAOYSA-N
TotalMolweight	446.423
Molweight	446.423
MonoisotopicMass	446.166232
CLogP	-0.1426
CLogS	-3.255
H Acceptors	14
H Donors	2
TotalSurfaceArea	330.07
Relative PSA	0.43885
PolarSurfaceArea	177.16
Druglikeness	1.6997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	4
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-amino-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments