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821783-92-0 | Pyrazinamine, 5-(3-chloro-4-fluorophenyl)-N-[2-(4-pyridinyl)ethyl]-
CAS No: 821783-92-0 Catalog No: AG005164 MDL No:
Product Description
Catalog Number:
AG005164
Chemical Name:
Pyrazinamine, 5-(3-chloro-4-fluorophenyl)-N-[2-(4-pyridinyl)ethyl]-
CAS Number:
821783-92-0
Molecular Formula:
C17H14ClFN4
Molecular Weight:
328.7713
IUPAC Name:
5-(3-chloro-4-fluorophenyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
InChI:
InChI=1S/C17H14ClFN4/c18-14-9-13(1-2-15(14)19)16-10-23-17(11-22-16)21-8-5-12-3-6-20-7-4-12/h1-4,6-7,9-11H,5,8H2,(H,21,23)
InChI Key:
GXGOMPRVQQHTLM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)c1cnc(cn1)NCCc1ccncc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.775g/mol
Monoisotopic Mass:
328.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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