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144782-23-0 | Acetamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-2-phenoxy-
CAS No: 144782-23-0 Catalog No: AG001K5T MDL No:
Product Description
Catalog Number:
AG001K5T
Chemical Name:
Acetamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-2-phenoxy-
CAS Number:
144782-23-0
Molecular Formula:
C13H11N5O3
Molecular Weight:
285.2581
IUPAC Name:
N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenoxyacetamide
InChI:
InChI=1S/C13H11N5O3/c19-9(6-21-8-4-2-1-3-5-8)16-13-17-11-10(12(20)18-13)14-7-15-11/h1-5,7H,6H2,(H3,14,15,16,17,18,19,20)
InChI Key:
VXZMETBWWUIXNK-UHFFFAOYSA-N
SMILES:
O=C(Nc1[nH]c(=O)c2c(n1)[nH]cn2)COc1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.263g/mol
Monoisotopic Mass:
285.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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