(E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-phenylprop-2-enamide

Formula:C29H21N2O3F Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-phenylprop-2-enamide
MolecularFormula	C29H21N2O3F
Smiles	O=C(/C=C/c1ccccc1)N(CCN(C(c1c2c3cccc2ccc1)=O)C3=O)c1cccc(F)c1
InChI	InChI=1S/C29H21FN2O3/c30-22-11-6-12-23(19-22)31(26(33)16-15-20-7-2-1-3-8-20)17-18-32-28(34)24-13-4-9-21-10-5-14-25(27(21)24)29(32)35/h1-16,19H,17-18H2
InChIK	BVYDFZPCRFEEIO-UHFFFAOYSA-N
TotalMolweight	464.495
Molweight	464.495
MonoisotopicMass	464.153621
CLogP	5.5099
CLogS	-6.635
H Acceptors	5
TotalSurfaceArea	348.1
Relative PSA	0.13278
PolarSurfaceArea	57.69
Druglikeness	0.75708
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	8
Amides	2
StereoCon

Click to Load Molecule:

1 - (E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-phenylprop-2-enamide | 2 - (E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-phenylprop-2-enamide

Request More Details | (E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-phenylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments