(E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide

Formula:C20H20NO3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide
MolecularFormula	C20H20NO3BrS
Smiles	O=C(/C=C/c1ccccc1)N(Cc1cccc(Br)c1)C(CC1)CS1(=O)=O
InChI	InChI=1S/C20H20BrNO3S/c21-18-8-4-7-17(13-18)14-22(19-11-12-26(24,25)15-19)20(23)10-9-16-5-2-1-3-6-16/h1-10,13,19H,11-12,14-15H2/t19-/m0/s1
InChIK	GPIHVVIEAMQCHJ-IBGZPJMESA-N
TotalMolweight	434.353
Molweight	434.353
MonoisotopicMass	433.034725
CLogP	3.2011
CLogS	-4.33
H Acceptors	4
TotalSurfaceArea	288.82
Relative PSA	0.15639
PolarSurfaceArea	62.83
Druglikeness	-5.3169
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	3
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide

Request More Details | (E)-N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments