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147676-66-2 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(5-acetyl-2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-
CAS No: 147676-66-2 Catalog No: AG001F2D MDL No:MFCD11977918
Product Description
Catalog Number:
AG001F2D
Chemical Name:
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(5-acetyl-2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-
CAS Number:
147676-66-2
Molecular Formula:
C19H22N4O3
Molecular Weight:
354.4030
MDL Number:
MFCD11977918
IUPAC Name:
5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C19H22N4O3/c1-5-7-14-16-17(23(4)22-14)19(25)21-18(20-16)13-10-12(11(3)24)8-9-15(13)26-6-2/h8-10H,5-7H2,1-4H3,(H,20,21,25)
InChI Key:
YJBDHZKAVGNHET-UHFFFAOYSA-N
SMILES:
CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)C(=O)C)C
UNII:
U2834X003B
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.41g/mol
Monoisotopic Mass:
354.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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