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890091-50-6 | 4-Chloro-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CAS No: 890091-50-6 Catalog No: AG01FMR3 MDL No:MFCD03030417
Product Description
Catalog Number:
AG01FMR3
Chemical Name:
4-Chloro-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
890091-50-6
Molecular Formula:
C20H16ClN3O
Molecular Weight:
349.8135
MDL Number:
MFCD03030417
IUPAC Name:
4-chloro-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C20H16ClN3O/c1-2-25-16-10-8-15(9-11-16)24-12-17(14-6-4-3-5-7-14)18-19(21)22-13-23-20(18)24/h3-13H,2H2,1H3
InChI Key:
WHLSYIDGRHLJAS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)n1cc(c2c1ncnc2Cl)c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.818g/mol
Monoisotopic Mass:
349.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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