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88255-40-7 | Thieno[2,3-c]pyridine, 7-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 88255-40-7 Catalog No: AG004AKO MDL No:
Product Description
Catalog Number:
AG004AKO
Chemical Name:
Thieno[2,3-c]pyridine, 7-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
88255-40-7
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
IUPAC Name:
7-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-c]pyridine
InChI:
InChI=1S/C16H15NO2S/c1-18-14-4-3-11(10-15(14)19-2)9-13-16-12(5-7-17-13)6-8-20-16/h3-8,10H,9H2,1-2H3
InChI Key:
IMHKEGYFMRKWFY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cc1nccc2c1scc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.361g/mol
Monoisotopic Mass:
285.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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