N,N'-bis[(Z)-(4-bromothiophen-2-yl)methylideneamino]octanediamide

Formula:C18H20N4O2Br2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(4-bromothiophen-2-yl)methylideneamino]octanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(4-bromothiophen-2-yl)methylideneamino]octanediamide
MolecularFormula	C18H20N4O2Br2S2
Smiles	O=C(CCCCCCC(N/N=C\c1cc(Br)cs1)=O)N/N=C\c1cc(Br)cs1
InChI	InChI=1S/C18H20Br2N4O2S2/c19-13-7-15(27-11-13)9-21-23-17(25)5-3-1-2-4-6-18(26)24-22-10-16-8-14(20)12-28-16/h7-12H,1-6H2,(H,23,25)(H,24,26)
InChIK	NUWWDTVIONCWJJ-UHFFFAOYSA-N
TotalMolweight	548.323
Molweight	548.323
MonoisotopicMass	545.939438
CLogP	6.4484
CLogS	-7.426
H Acceptors	6
H Donors	2
TotalSurfaceArea	352.66
Relative PSA	0.31968
PolarSurfaceArea	139.4
Druglikeness	-8.3386
Mutagenic	none
Tumorigenic	none
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

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