(Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile

Formula:C21H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile
MolecularFormula	C21H19N2O3Br
Smiles	N#C/C(/c1ccccc1)=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O
InChI	InChI=1S/C21H19BrN2O3/c22-19-13-16(12-18(14-23)17-4-2-1-3-5-17)6-7-20(19)27-15-21(25)24-8-10-26-11-9-24/h1-7,12-13H,8-11,15H2
InChIK	HIGZUOJPQKZCGM-UHFFFAOYSA-N
TotalMolweight	427.297
Molweight	427.297
MonoisotopicMass	426.057904
CLogP	3.307
CLogS	-3.953
H Acceptors	5
TotalSurfaceArea	301.42
Relative PSA	0.16638
PolarSurfaceArea	62.56
Druglikeness	-2.7892
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
StereoCon

Click to Load Molecule:

1 - (Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile | 2 - (Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile

Request More Details | (Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments