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849199-52-6 | Imidazo[1,5-a]pyrazin-8(7H)-one, 7-[(4-methoxyphenyl)methyl]-5-phenyl-
CAS No: 849199-52-6 Catalog No: AG004UYD MDL No:
Product Description
Catalog Number:
AG004UYD
Chemical Name:
Imidazo[1,5-a]pyrazin-8(7H)-one, 7-[(4-methoxyphenyl)methyl]-5-phenyl-
CAS Number:
849199-52-6
Molecular Formula:
C20H17N3O2
Molecular Weight:
331.3679
IUPAC Name:
7-[(4-methoxyphenyl)methyl]-5-phenylimidazo[1,5-a]pyrazin-8-one
InChI:
InChI=1S/C20H17N3O2/c1-25-17-9-7-15(8-10-17)12-22-13-19(16-5-3-2-4-6-16)23-14-21-11-18(23)20(22)24/h2-11,13-14H,12H2,1H3
InChI Key:
CMXZNVAQNYENBG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cc(c2ccccc2)n2c(c1=O)cnc2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.375g/mol
Monoisotopic Mass:
331.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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