200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 151539-58-1
151539-58-1 | 1H-Purine-2,6-dione, 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-3,7-dihydro-1,3-dipropyl-, (E)- (9CI)
CAS No: 151539-58-1 Catalog No: AG001NEZ MDL No:
Product Description
Catalog Number:
AG001NEZ
Chemical Name:
1H-Purine-2,6-dione, 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-3,7-dihydro-1,3-dipropyl-, (E)- (9CI)
CAS Number:
151539-58-1
Molecular Formula:
C21H24N4O4
Molecular Weight:
396.4397
IUPAC Name:
8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
InChI:
InChI=1S/C21H24N4O4/c1-3-9-24-19-18(20(26)25(10-4-2)21(24)27)22-17(23-19)8-6-14-5-7-15-16(13-14)29-12-11-28-15/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,23)
InChI Key:
VSCZNWZJZDPSTO-UHFFFAOYSA-N
SMILES:
CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)/C=C/c1ccc2c(c1)OCCO2
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.18g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.447g/mol
Monoisotopic Mass:
396.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.