4-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Formula:C21H20N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H20N4O6
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(N1CCCCC1)=O)=C\c1cccc([N+]([O-])=O)c1)=O)=O
InChI	InChI=1S/C21H20N4O6/c26-20(16-7-9-17(10-8-16)24(28)29)22-19(21(27)23-11-2-1-3-12-23)14-15-5-4-6-18(13-15)25(30)31/h4-10,13-14H,1-3,11-12H2,(H,22,26)
InChIK	AHGVMBNATNCRTK-UHFFFAOYSA-N
TotalMolweight	424.412
Molweight	424.412
MonoisotopicMass	424.138286
CLogP	2.2714
CLogS	-4.88
H Acceptors	10
H Donors	1
TotalSurfaceArea	317.63
Relative PSA	0.32091
PolarSurfaceArea	141.05
Druglikeness	-1.4144
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide | 2 - 4-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Request More Details | 4-nitro-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments