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89027-16-7 | Pyrido[3,4-b]pyrazine, 7-[4-[3-(4-fluorophenoxy)propyl]-1-piperazinyl]-
CAS No: 89027-16-7 Catalog No: AG0042R8 MDL No:
Product Description
Catalog Number:
AG0042R8
Chemical Name:
Pyrido[3,4-b]pyrazine, 7-[4-[3-(4-fluorophenoxy)propyl]-1-piperazinyl]-
CAS Number:
89027-16-7
Molecular Formula:
C20H22FN5O
Molecular Weight:
367.4200
IUPAC Name:
7-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]pyrido[3,4-b]pyrazine
InChI:
InChI=1S/C20H22FN5O/c21-16-2-4-17(5-3-16)27-13-1-8-25-9-11-26(12-10-25)20-14-18-19(15-24-20)23-7-6-22-18/h2-7,14-15H,1,8-13H2
InChI Key:
AQMFKVJQKQLKFQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)OCCCN1CCN(CC1)c1ncc2c(c1)nccn2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.181g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.428g/mol
Monoisotopic Mass:
367.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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