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87035-37-8 | 3H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-3-propyl-
CAS No: 87035-37-8 Catalog No: AG004JWY MDL No:
Product Description
Catalog Number:
AG004JWY
Chemical Name:
3H-Imidazo[4,5-c]pyridine, 4-[(benzo[b]thien-3-ylmethyl)thio]-3-propyl-
CAS Number:
87035-37-8
Molecular Formula:
C18H17N3S2
Molecular Weight:
339.4777
IUPAC Name:
4-(1-benzothiophen-3-ylmethylsulfanyl)-3-propylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C18H17N3S2/c1-2-9-21-12-20-15-7-8-19-18(17(15)21)23-11-13-10-22-16-6-4-3-5-14(13)16/h3-8,10,12H,2,9,11H2,1H3
InChI Key:
XUHMPALIYKNGHY-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1c(ncc2)SCc1csc2c1cccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.475g/mol
Monoisotopic Mass:
339.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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