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189007-60-1 | Phenol, 4-[6-(4-methyl-1-piperazinyl)[2,5'-bibenzoxazol]-2'-yl]-
CAS No: 189007-60-1 Catalog No: AG002HPC MDL No:
Product Description
Catalog Number:
AG002HPC
Chemical Name:
Phenol, 4-[6-(4-methyl-1-piperazinyl)[2,5'-bibenzoxazol]-2'-yl]-
CAS Number:
189007-60-1
Molecular Formula:
C25H22N4O3
Molecular Weight:
426.4672
IUPAC Name:
4-[5-[6-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]phenol
InChI:
InChI=1S/C25H22N4O3/c1-28-10-12-29(13-11-28)18-5-8-20-23(15-18)32-25(26-20)17-4-9-22-21(14-17)27-24(31-22)16-2-6-19(30)7-3-16/h2-9,14-15,30H,10-13H2,1H3
InChI Key:
GYCXSJMJMCHHQQ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc2c(c1)oc(n2)c1ccc2c(c1)nc(o2)c1ccc(cc1)O
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.169g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.476g/mol
Monoisotopic Mass:
426.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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