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LS-25581,4-Amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)be

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摘 要:LS-25581,4-Amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)benzamide hydrate (2:1),Benzamide, 4-amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)-, hydrate (2:1),54998-52-6, 4-amino-N-[2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]ethyl]
[Synonyms]
LS-25581
4-Amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)benzamide hydrate (2:1)
Benzamide, 4-amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)-, hydrate (2:1)
54998-52-6

[Structure]
LS-25581,4-Amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)be

[ Properties Computed from Structure]
Molecular Weight339.4347 [g/mol]
Molecular FormulaC19H25N5O
XLogP2.1
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count3
Exact Mass339.20591
MonoIsotopic Mass339.20591
Topological Polar Surface Area74.5
Heavy Atom Count25
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-amino-N-[2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]ethyl]benzamide
Canonical SMILES: CC1=NC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N
InChI: InChI=1/C19H25N5O/c1-15-3-2-4-18(22-15)24-13-11-23(12-14-24)10-9-21-19
(25)16-5-7-17(20)8-6-16/h2-8H,9-14,20H2,1H3,(H,21,25)/f/h21H

 
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