N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

Formula:C23H18N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
MolecularFormula	C23H18N4O4
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cnccc1
InChI	InChI=1S/C23H18N4O4/c28-22(18-6-2-1-3-7-18)26-19(11-16-8-9-20-21(12-16)31-15-30-20)23(29)27-25-14-17-5-4-10-24-13-17/h1-14H,15H2,(H,26,28)(H,27,29)
InChIK	YBYQIRZFLFWHBP-UHFFFAOYSA-N
TotalMolweight	414.42
Molweight	414.42
MonoisotopicMass	414.132806
CLogP	3.9288
CLogS	-5.382
H Acceptors	8
H Donors	2
TotalSurfaceArea	319.69
Relative PSA	0.28615
PolarSurfaceArea	101.91
Druglikeness	6.2698
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

Request More Details | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments