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893613-45-1 | Pyrazolo[1,5-a]pyrimidine,2-(3-bromophenyl)-6-(4-methoxyphenyl)-
CAS No: 893613-45-1 Catalog No: AG003YWT MDL No:MFCD08056225
Product Description
Catalog Number:
AG003YWT
Chemical Name:
Pyrazolo[1,5-a]pyrimidine,2-(3-bromophenyl)-6-(4-methoxyphenyl)-
CAS Number:
893613-45-1
Molecular Formula:
C19H14BrN3O
Molecular Weight:
380.2380
MDL Number:
MFCD08056225
IUPAC Name:
2-(3-bromophenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C19H14BrN3O/c1-24-17-7-5-13(6-8-17)15-11-21-19-10-18(22-23(19)12-15)14-3-2-4-16(20)9-14/h2-12H,1H3
InChI Key:
ULAXCOCMKPQMEP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc2n(c1)nc(c2)c1cccc(c1)Br
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.032g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.245g/mol
Monoisotopic Mass:
379.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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