N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide

Formula:C17H14N3O2BrCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide is a drug-like molecule.

MolName	N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide
MolecularFormula	C17H14N3O2BrCl2
Smiles	O=C(CCC(N/N=C\c(cc1)ccc1Br)=O)Nc(cc(cc1)Cl)c1Cl
InChI	InChI=1S/C17H14BrCl2N3O2/c18-12-3-1-11(2-4-12)10-21-23-17(25)8-7-16(24)22-15-9-13(19)5-6-14(15)20/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25)
InChIK	KJGFUBIESCBADD-UHFFFAOYSA-N
TotalMolweight	443.127
Molweight	443.127
MonoisotopicMass	440.964642
CLogP	4.9899
CLogS	-6.371
H Acceptors	5
H Donors	2
TotalSurfaceArea	293.19
Relative PSA	0.20638
PolarSurfaceArea	70.56
Druglikeness	1.8312
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide | 2 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide

Request More Details | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments