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865546-60-7 | 7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CAS No: 865546-60-7 Catalog No: AG01FM4I MDL No:MFCD04971642
Product Description
Catalog Number:
AG01FM4I
Chemical Name:
7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CAS Number:
865546-60-7
Molecular Formula:
C19H15N3O
Molecular Weight:
301.3419
MDL Number:
MFCD04971642
IUPAC Name:
7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C19H15N3O/c1-13-7-9-15(10-8-13)22-11-16(14-5-3-2-4-6-14)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChI Key:
KELRPWLCINPZTR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cc(c2c1ncnc2O)c1ccccc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.349g/mol
Monoisotopic Mass:
301.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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