N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(4-bromoanilino)-2-oxoethoxy]benzamide

Formula:C23H18N3O5Br Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(4-bromoanilino)-2-oxoethoxy]benzamide is a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(4-bromoanilino)-2-oxoethoxy]benzamide
MolecularFormula	C23H18N3O5Br
Smiles	O=C(COc(cccc1)c1C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc(cc1)ccc1Br
InChI	InChI=1S/C23H18BrN3O5/c24-16-6-8-17(9-7-16)26-22(28)13-30-19-4-2-1-3-18(19)23(29)27-25-12-15-5-10-20-21(11-15)32-14-31-20/h1-12H,13-14H2,(H,26,28)(H,27,29)
InChIK	RQUIJTYNHNMETD-UHFFFAOYSA-N
TotalMolweight	496.316
Molweight	496.316
MonoisotopicMass	495.042983
CLogP	4.7606
CLogS	-6.558
H Acceptors	8
H Donors	2
TotalSurfaceArea	338.61
Relative PSA	0.2673
PolarSurfaceArea	98.25
Druglikeness	2.8231
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(4-bromoanilino)-2-oxoethoxy]benzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(4-bromoanilino)-2-oxoethoxy]benzamide

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