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129224-80-2 | Phthalazine, 1-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthalenyl)-
CAS No: 129224-80-2 Catalog No: AG000YYV MDL No:
Product Description
Catalog Number:
AG000YYV
Chemical Name:
Phthalazine, 1-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthalenyl)-
CAS Number:
129224-80-2
Molecular Formula:
C25H26N4S
Molecular Weight:
414.5657
IUPAC Name:
1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-ylphthalazine
InChI:
InChI=1S/C25H26N4S/c1-28-12-14-29(15-13-28)16-17-30-25-23-9-5-4-8-22(23)24(26-27-25)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3
InChI Key:
HBTISEKVLOETMJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCSc1nnc(c2c1cccc2)c1ccc2c(c1)cccc2
NSC Number:
619017
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.188g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.571g/mol
Monoisotopic Mass:
414.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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