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

Formula:C17H18N4O4Br2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]heptanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]heptanediamide
MolecularFormula	C17H18N4O4Br2
Smiles	O=C(CCCCCC(N/N=C\c(o1)ccc1Br)=O)N/N=C\c(o1)ccc1Br
InChI	InChI=1S/C17H18Br2N4O4/c18-14-8-6-12(26-14)10-20-22-16(24)4-2-1-3-5-17(25)23-21-11-13-7-9-15(19)27-13/h6-11H,1-5H2,(H,22,24)(H,23,25)
InChIK	GCPLWBYRQCJTEW-UHFFFAOYSA-N
TotalMolweight	502.162
Molweight	502.162
MonoisotopicMass	499.969478
CLogP	4.833
CLogS	-6.026
H Acceptors	8
H Donors	2
TotalSurfaceArea	326.4
Relative PSA	0.30711
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	0.77778
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Symmetricatoms	13
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments