N-[(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Formula:C25H23N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C25H23N3O5
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C(/C(N2CCCCC2)=O)\NC(c2ccccc2)=O)o1)=O
InChI	InChI=1S/C25H23N3O5/c29-24(19-7-3-1-4-8-19)26-22(25(30)27-15-5-2-6-16-27)17-21-13-14-23(33-21)18-9-11-20(12-10-18)28(31)32/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,26,29)
InChIK	DWDKMQNIZBIIAF-UHFFFAOYSA-N
TotalMolweight	445.474
Molweight	445.474
MonoisotopicMass	445.163772
CLogP	4.1319
CLogS	-5.88
H Acceptors	8
H Donors	1
TotalSurfaceArea	343.41
Relative PSA	0.24932
PolarSurfaceArea	108.37
Druglikeness	-0.67542
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Request More Details | N-[(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-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