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87034-80-8 | 1H-Imidazo[4,5-c]pyridine, 4-(benzo[b]thien-3-ylmethoxy)-
CAS No: 87034-80-8 Catalog No: AG004NJO MDL No:
Product Description
Catalog Number:
AG004NJO
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 4-(benzo[b]thien-3-ylmethoxy)-
CAS Number:
87034-80-8
Molecular Formula:
C15H11N3OS
Molecular Weight:
281.3323
IUPAC Name:
4-(1-benzothiophen-3-ylmethoxy)-1H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C15H11N3OS/c1-2-4-13-11(3-1)10(8-20-13)7-19-15-14-12(5-6-16-15)17-9-18-14/h1-6,8-9H,7H2,(H,17,18)
InChI Key:
UMAIIKKTRVWFPT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(COc1nccc3c1nc[nH]3)cs2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.333g/mol
Monoisotopic Mass:
281.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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