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893613-13-3 | Pyrazolo[1,5-a]pyrimidine,6-(4-methoxyphenyl)-3-(2-thienyl)-
CAS No: 893613-13-3 Catalog No: AG003X5D MDL No:MFCD08056215
Product Description
Catalog Number:
AG003X5D
Chemical Name:
Pyrazolo[1,5-a]pyrimidine,6-(4-methoxyphenyl)-3-(2-thienyl)-
CAS Number:
893613-13-3
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
MDL Number:
MFCD08056215
IUPAC Name:
6-(4-methoxyphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C17H13N3OS/c1-21-14-6-4-12(5-7-14)13-9-18-17-15(10-19-20(17)11-13)16-3-2-8-22-16/h2-11H,1H3
InChI Key:
RWLKRZROMMQKIY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc2n(c1)ncc2c1cccs1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.371g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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