N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide

Formula:C18H14N2O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide is a drug-like molecule.

MolName	N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide
MolecularFormula	C18H14N2O3BrF
Smiles	C#CCOc(cc1)cc(/C=N\NC(COc(cc2)ccc2F)=O)c1Br
InChI	InChI=1S/C18H14BrFN2O3/c1-2-9-24-16-7-8-17(19)13(10-16)11-21-22-18(23)12-25-15-5-3-14(20)4-6-15/h1,3-8,10-11H,9,12H2,(H,22,23)
InChIK	DFPVIELCYWNDMF-UHFFFAOYSA-N
TotalMolweight	405.222
Molweight	405.222
MonoisotopicMass	404.017182
CLogP	3.5597
CLogS	-5.291
H Acceptors	5
H Donors	1
TotalSurfaceArea	283.3
Relative PSA	0.19771
PolarSurfaceArea	59.92
Druglikeness	1.0862
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide | 2 - N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide

Request More Details | N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments