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220835-17-6 | 7-(4-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CAS No: 220835-17-6 Catalog No: AG01FM7Q MDL No:MFCD04440781
Product Description
Catalog Number:
AG01FM7Q
Chemical Name:
7-(4-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CAS Number:
220835-17-6
Molecular Formula:
C19H15N3O2
Molecular Weight:
317.3413
MDL Number:
MFCD04440781
IUPAC Name:
7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C19H15N3O2/c1-24-15-9-7-14(8-10-15)22-11-16(13-5-3-2-4-6-13)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChI Key:
VAOBJTRTUSWVKW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cc(c2c1ncnc2O)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.348g/mol
Monoisotopic Mass:
317.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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