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87499-62-5 | Furo[2,3-d]pyrimidin-4-amine, 5,6-bis(1,3-benzodioxol-5-yl)-
CAS No: 87499-62-5 Catalog No: AG004I18 MDL No:
Product Description
Catalog Number:
AG004I18
Chemical Name:
Furo[2,3-d]pyrimidin-4-amine, 5,6-bis(1,3-benzodioxol-5-yl)-
CAS Number:
87499-62-5
Molecular Formula:
C20H13N3O5
Molecular Weight:
375.3343
IUPAC Name:
5,6-bis(1,3-benzodioxol-5-yl)furo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C20H13N3O5/c21-19-17-16(10-1-3-12-14(5-10)26-8-24-12)18(28-20(17)23-7-22-19)11-2-4-13-15(6-11)27-9-25-13/h1-7H,8-9H2,(H2,21,22,23)
InChI Key:
TXXBTZVCAYOJRS-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(c1ccc3c(c1)OCO3)c(o2)c1ccc2c(c1)OCO2
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.34g/mol
Monoisotopic Mass:
375.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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