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821783-83-9 | Pyrazinamine, N-[2-(4-pyridinyl)ethyl]-5-[3-(trifluoromethoxy)phenyl]-
CAS No: 821783-83-9 Catalog No: AG005IPN MDL No:
Product Description
Catalog Number:
AG005IPN
Chemical Name:
Pyrazinamine, N-[2-(4-pyridinyl)ethyl]-5-[3-(trifluoromethoxy)phenyl]-
CAS Number:
821783-83-9
Molecular Formula:
C18H15F3N4O
Molecular Weight:
360.3331
IUPAC Name:
N-(2-pyridin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
InChI:
InChI=1S/C18H15F3N4O/c19-18(20,21)26-15-3-1-2-14(10-15)16-11-25-17(12-24-16)23-9-6-13-4-7-22-8-5-13/h1-5,7-8,10-12H,6,9H2,(H,23,25)
InChI Key:
WEXILEUTEVKWOA-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)c1cnc(cn1)NCCc1ccncc1)(F)F
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.34g/mol
Monoisotopic Mass:
360.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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