N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(E)-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C26H20N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(E)-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(E)-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C26H20N4O6
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)cc3c2OCO3)=O)cc1)=O
InChI	InChI=1S/C26H20N4O6/c31-25(20-6-2-1-3-7-20)28-22(15-19-10-13-23-24(16-19)36-17-35-23)26(32)29-27-14-4-5-18-8-11-21(12-9-18)30(33)34/h1-16H,17H2,(H,28,31)(H,29,32)
InChIK	PAQMUEGKLJUSJK-UHFFFAOYSA-N
TotalMolweight	484.467
Molweight	484.467
MonoisotopicMass	484.138286
CLogP	4.0264
CLogS	-6.929
H Acceptors	10
H Donors	2
TotalSurfaceArea	371.1
Relative PSA	0.29892
PolarSurfaceArea	134.84
Druglikeness	1.2208
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(E)-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(E)-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(E)-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments