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821783-89-5 | Pyrazinamine, 5-(2-naphthalenyl)-N-[2-(4-pyridinyl)ethyl]-
CAS No: 821783-89-5 Catalog No: AG005795 MDL No:
Product Description
Catalog Number:
AG005795
Chemical Name:
Pyrazinamine, 5-(2-naphthalenyl)-N-[2-(4-pyridinyl)ethyl]-
CAS Number:
821783-89-5
Molecular Formula:
C21H18N4
Molecular Weight:
326.3944
IUPAC Name:
5-naphthalen-2-yl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
InChI:
InChI=1S/C21H18N4/c1-2-4-18-13-19(6-5-17(18)3-1)20-14-25-21(15-24-20)23-12-9-16-7-10-22-11-8-16/h1-8,10-11,13-15H,9,12H2,(H,23,25)
InChI Key:
UQMWLKWOXBBYQC-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)CCNc1cnc(cn1)c1ccc2c(c1)cccc2
Properties
Complexity:
395
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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