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87035-27-6 | 3H-Imidazo[4,5-c]pyridine, 4-(benzo[b]thien-3-ylmethoxy)-3-butyl-
CAS No: 87035-27-6 Catalog No: AG004GMN MDL No:
Product Description
Catalog Number:
AG004GMN
Chemical Name:
3H-Imidazo[4,5-c]pyridine, 4-(benzo[b]thien-3-ylmethoxy)-3-butyl-
CAS Number:
87035-27-6
Molecular Formula:
C19H19N3OS
Molecular Weight:
337.4387
IUPAC Name:
4-(1-benzothiophen-3-ylmethoxy)-3-butylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C19H19N3OS/c1-2-3-10-22-13-21-16-8-9-20-19(18(16)22)23-11-14-12-24-17-7-5-4-6-15(14)17/h4-9,12-13H,2-3,10-11H2,1H3
InChI Key:
NBWKDHNHGNHSTC-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1c(ncc2)OCc1csc2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.441g/mol
Monoisotopic Mass:
337.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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