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188299-94-7 | [2,5'-Bi-1H-benzimidazole]-4',7'-dione, 2'-[(acetyloxy)methyl]-4',7'-dihydro-6'-hydroxy-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS No: 188299-94-7 Catalog No: AG002GSL MDL No:
Product Description
Catalog Number:
AG002GSL
Chemical Name:
[2,5'-Bi-1H-benzimidazole]-4',7'-dione, 2'-[(acetyloxy)methyl]-4',7'-dihydro-6'-hydroxy-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS Number:
188299-94-7
Molecular Formula:
C23H24N6O5
Molecular Weight:
464.4739
IUPAC Name:
[4-hydroxy-1-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-6,7-dioxobenzimidazol-2-yl]methyl acetate
InChI:
InChI=1S/C23H24N6O5/c1-12(30)34-11-16-26-18-19(28(16)3)22(33)21(32)17(20(18)31)23-24-14-5-4-13(10-15(14)25-23)29-8-6-27(2)7-9-29/h4-5,10,31H,6-9,11H2,1-3H3,(H,24,25)
InChI Key:
XNBLMAJVSACXOD-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc2c(c1)[nH]c(n2)C1=C(O)C(=O)c2c(C1=O)nc(n2C)COC(=O)C
Properties
Complexity:
887
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.181g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
464.482g/mol
Monoisotopic Mass:
464.181g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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