N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]octanediamide

Formula:C18H20N4O4Br2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]octanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]octanediamide
MolecularFormula	C18H20N4O4Br2
Smiles	O=C(CCCCCCC(N/N=C\c(o1)ccc1Br)=O)N/N=C\c(o1)ccc1Br
InChI	InChI=1S/C18H20Br2N4O4/c19-15-9-7-13(27-15)11-21-23-17(25)5-3-1-2-4-6-18(26)24-22-12-14-8-10-16(20)28-14/h7-12H,1-6H2,(H,23,25)(H,24,26)
InChIK	MHNJBYHPHLWGFU-UHFFFAOYSA-N
TotalMolweight	516.189
Molweight	516.189
MonoisotopicMass	513.985128
CLogP	5.2874
CLogS	-6.296
H Acceptors	8
H Donors	2
TotalSurfaceArea	340.16
Relative PSA	0.29468
PolarSurfaceArea	109.2
Druglikeness	-5.3033
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.78571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Symmetricatoms	14
StereoCon

Click to Load Molecule:

1 - N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]octanediamide | 2 - N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]octanediamide

Request More Details | N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]octanediamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments