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1255784-57-6 | 3-(13-benzodioxol-5-yl)-7-(1H-imidazol-1-yl)pyrimido[45-d]pyrimidine-24(1H3H)-dione
CAS No: 1255784-57-6 Catalog No: AG01E6GW MDL No:
Product Description
Catalog Number:
AG01E6GW
Chemical Name:
3-(13-benzodioxol-5-yl)-7-(1H-imidazol-1-yl)pyrimido[45-d]pyrimidine-24(1H3H)-dione
CAS Number:
1255784-57-6
IUPAC Name:
6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C16H10N6O4/c23-14-10-6-18-15(21-4-3-17-7-21)19-13(10)20-16(24)22(14)9-1-2-11-12(5-9)26-8-25-11/h1-7H,8H2,(H,18,19,20,24)
InChI Key:
ROWXGXCYMYBEGE-UHFFFAOYSA-N
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.076g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.294g/mol
Monoisotopic Mass:
350.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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