N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C26H20N4O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C26H20N4O5
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=C(\C(NCc2ccncc2)=O)/NC(c2ccccc2)=O)o1)=O
InChI	InChI=1S/C26H20N4O5/c31-25(19-6-2-1-3-7-19)29-22(26(32)28-17-18-12-14-27-15-13-18)16-20-10-11-24(35-20)21-8-4-5-9-23(21)30(33)34/h1-16H,17H2,(H,28,32)(H,29,31)
InChIK	MPKXEBUGWPVMIV-UHFFFAOYSA-N
TotalMolweight	468.468
Molweight	468.468
MonoisotopicMass	468.143371
CLogP	3.1496
CLogS	-5.814
H Acceptors	9
H Donors	2
TotalSurfaceArea	361.55
Relative PSA	0.28903
PolarSurfaceArea	130.05
Druglikeness	-0.7134
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide

Request More Details | N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments