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893613-09-7 | Pyrazolo[1,5-a]pyrimidine,3-(2-thienyl)-6-(3,4,5-trimethoxyphenyl)-
CAS No: 893613-09-7 Catalog No: AG003XPY MDL No:MFCD08056214
Product Description
Catalog Number:
AG003XPY
Chemical Name:
Pyrazolo[1,5-a]pyrimidine,3-(2-thienyl)-6-(3,4,5-trimethoxyphenyl)-
CAS Number:
893613-09-7
Molecular Formula:
C19H17N3O3S
Molecular Weight:
367.4216
MDL Number:
MFCD08056214
IUPAC Name:
3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C19H17N3O3S/c1-23-15-7-12(8-16(24-2)18(15)25-3)13-9-20-19-14(10-21-22(19)11-13)17-5-4-6-26-17/h4-11H,1-3H3
InChI Key:
AOQHNIAJGWWNOX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1cnc2n(c1)ncc2c1cccs1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.099g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.423g/mol
Monoisotopic Mass:
367.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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