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87034-98-8 | 1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-1-butyl-
CAS No: 87034-98-8 Catalog No: AG004GMU MDL No:
Product Description
Catalog Number:
AG004GMU
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-1-butyl-
CAS Number:
87034-98-8
Molecular Formula:
C19H19N3S2
Molecular Weight:
353.5043
IUPAC Name:
4-(1-benzothiophen-3-ylmethylsulfanyl)-1-butylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C19H19N3S2/c1-2-3-10-22-13-21-18-16(22)8-9-20-19(18)24-12-14-11-23-17-7-5-4-6-15(14)17/h4-9,11,13H,2-3,10,12H2,1H3
InChI Key:
DPCVWDHIBMRUDX-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1ccnc2SCc1csc2c1cccc2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.502g/mol
Monoisotopic Mass:
353.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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