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

Formula:C28H20N4O7 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(3-nitrophenyl)furan-2-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-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C28H20N4O7
Smiles	[O-][N+](c1cc(-c2ccc(/C=N\NC(/C(/NC(c3ccccc3)=O)=C\c(cc3)cc4c3OCO4)=O)o2)ccc1)=O
InChI	InChI=1S/C28H20N4O7/c33-27(19-5-2-1-3-6-19)30-23(13-18-9-11-25-26(14-18)38-17-37-25)28(34)31-29-16-22-10-12-24(39-22)20-7-4-8-21(15-20)32(35)36/h1-16H,17H2,(H,30,33)(H,31,34)
InChIK	DFXASVAVSJXZRM-UHFFFAOYSA-N
TotalMolweight	524.488
Molweight	524.488
MonoisotopicMass	524.133201
CLogP	4.947
CLogS	-8.097
H Acceptors	11
H Donors	2
TotalSurfaceArea	394.05
Relative PSA	0.31732
PolarSurfaceArea	147.98
Druglikeness	2.9539
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments