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821784-04-7 | Pyrazinamine, 5-(2-naphthalenyl)-N-[2-(3-pyridinyl)ethyl]-
CAS No: 821784-04-7 Catalog No: AG005I70 MDL No:
Product Description
Catalog Number:
AG005I70
Chemical Name:
Pyrazinamine, 5-(2-naphthalenyl)-N-[2-(3-pyridinyl)ethyl]-
CAS Number:
821784-04-7
Molecular Formula:
C21H18N4
Molecular Weight:
326.3944
IUPAC Name:
5-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazin-2-amine
InChI:
InChI=1S/C21H18N4/c1-2-6-18-12-19(8-7-17(18)5-1)20-14-25-21(15-24-20)23-11-9-16-4-3-10-22-13-16/h1-8,10,12-15H,9,11H2,(H,23,25)
InChI Key:
XEWSGSSLPUACOK-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)CCNc1ncc(nc1)c1ccc2c(c1)cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.403g/mol
Monoisotopic Mass:
326.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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