N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,4-dichlorophenyl)butanediamide

Formula:C25H19N3O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,4-dichlorophenyl)butanediamide is not a drug-like molecule.

MolName	N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
MolecularFormula	C25H19N3O2Cl2
Smiles	O=C(CCC(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C25H19Cl2N3O2/c26-18-9-10-23(22(27)14-18)29-24(31)11-12-25(32)30-28-15-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-10,13-15H,11-12H2,(H,29,31)(H,30,32)
InChIK	ZRHFEJLTSLLUPA-UHFFFAOYSA-N
TotalMolweight	464.351
Molweight	464.351
MonoisotopicMass	463.085431
CLogP	6.6535
CLogS	-8.749
H Acceptors	5
H Donors	2
TotalSurfaceArea	343.76
Relative PSA	0.17602
PolarSurfaceArea	70.56
Druglikeness	3.6212
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	6
Amides	1
StereoCon

Click to Load Molecule:

1 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,4-dichlorophenyl)butanediamide | 2 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,4-dichlorophenyl)butanediamide

Request More Details | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,4-dichlorophenyl)butanediamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments