N'-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide

Formula:C18H13N3O3BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:none N'-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide is a drug-like molecule.

MolName	N'-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
MolecularFormula	C18H13N3O3BrCl
Smiles	C#CCOc(cc1)c(/C=N\NC(C(Nc(cccc2)c2Cl)=O)=O)cc1Br
InChI	InChI=1S/C18H13BrClN3O3/c1-2-9-26-16-8-7-13(19)10-12(16)11-21-23-18(25)17(24)22-15-6-4-3-5-14(15)20/h1,3-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIK	DGNNGUVHKAMUEN-UHFFFAOYSA-N
TotalMolweight	434.676
Molweight	434.676
MonoisotopicMass	432.98288
CLogP	3.4323
CLogS	-5.737
H Acceptors	6
H Donors	2
TotalSurfaceArea	297.82
Relative PSA	0.23675
PolarSurfaceArea	79.79
Druglikeness	1.6482
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - N'-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide | 2 - N'-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide

Request More Details | N'-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments