2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide

Formula:C20H25N4OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
MolecularFormula	C20H25N4OBr
Smiles	O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N/N=C\c(cccc1)c1Br
InChI	InChI=1S/C20H23BrN4O/c21-19-9-5-4-8-18(19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,23,26)/p+2
InChIK	UNVUFZLIYQYQOT-UHFFFAOYSA-P
TotalMolweight	417.35
Molweight	417.35
MonoisotopicMass	416.121172
CLogP	-0.9464
CLogS	-3.4
H Acceptors	5
H Donors	3
TotalSurfaceArea	323.36
Relative PSA	0.22016
PolarSurfaceArea	50.34
Druglikeness	2.277
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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