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138040-43-4 | Thieno[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]-
CAS No: 138040-43-4 Catalog No: AG0017VS MDL No:
Product Description
Catalog Number:
AG0017VS
Chemical Name:
Thieno[2,3-d]pyrimidine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]-
CAS Number:
138040-43-4
Molecular Formula:
C18H20N2OS
Molecular Weight:
312.4292
IUPAC Name:
4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine
InChI:
InChI=1S/C18H20N2OS/c1-18(2,3)14-6-4-13(5-7-14)8-10-21-16-15-9-11-22-17(15)20-12-19-16/h4-7,9,11-12H,8,10H2,1-3H3
InChI Key:
CJJQVTANUOIVHE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)CCOc1ncnc2c1ccs2)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.431g/mol
Monoisotopic Mass:
312.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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