N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C25H18N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C25H18N3O6Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C25H18BrN3O6/c26-18-11-23-22(34-14-35-23)10-17(18)12-27-29-25(31)19(28-24(30)16-4-2-1-3-5-16)8-15-6-7-20-21(9-15)33-13-32-20/h1-12H,13-14H2,(H,28,30)(H,29,31)
InChIK	KYUFZFMYDZZAKV-UHFFFAOYSA-N
TotalMolweight	536.337
Molweight	536.337
MonoisotopicMass	535.037898
CLogP	5.7663
CLogS	-7.722
H Acceptors	9
H Donors	2
TotalSurfaceArea	359.82
Relative PSA	0.27933
PolarSurfaceArea	107.48
Druglikeness	4.4798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments