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124959-51-9 | Quinazoline, 2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthalenyl)-, hydrobromide (1:2)
CAS No: 124959-51-9 Catalog No: AG000MX6 MDL No:
Product Description
Catalog Number:
AG000MX6
Chemical Name:
Quinazoline, 2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthalenyl)-, hydrobromide (1:2)
CAS Number:
124959-51-9
Molecular Formula:
C25H28Br2N4S
Molecular Weight:
576.3896
IUPAC Name:
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-ylquinazoline
InChI:
InChI=1S/C25H26N4S/c1-28-12-14-29(15-13-28)16-17-30-25-26-23-9-5-4-8-22(23)24(27-25)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3
InChI Key:
IPJYZRLUNFLAMJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCSc1nc2ccccc2c(n1)c1ccc2c(c1)cccc2.Br.Br
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:
5.1
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