N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

Formula:C20H23N5O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is a drug-like molecule.

MolName	N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
MolecularFormula	C20H23N5O3Cl2
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(C[NH+]2CC[NH+](Cc(cccc3)c3Cl)CC2)=O)c1Cl)=O
InChI	InChI=1S/C20H21Cl2N5O3/c21-18-4-2-1-3-15(18)13-25-7-9-26(10-8-25)14-20(28)24-23-12-16-11-17(27(29)30)5-6-19(16)22/h1-6,11-12H,7-10,13-14H2,(H,24,28)/p+2
InChIK	DIOWYPMYYHTZRG-UHFFFAOYSA-P
TotalMolweight	452.341
Molweight	452.341
MonoisotopicMass	451.117794
CLogP	1.2484
CLogS	-4.498
H Acceptors	8
H Donors	3
TotalSurfaceArea	359.24
Relative PSA	0.28285
PolarSurfaceArea	96.16
Druglikeness	-0.73119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

Request More Details | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments