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87035-21-0 | 1H-Imidazo[4,5-c]pyridine, 4-(benzo[b]thien-3-ylmethoxy)-1-ethyl-
CAS No: 87035-21-0 Catalog No: AG008DQE MDL No:
Product Description
Catalog Number:
AG008DQE
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 4-(benzo[b]thien-3-ylmethoxy)-1-ethyl-
CAS Number:
87035-21-0
Molecular Formula:
C17H15N3OS
Molecular Weight:
309.3855
IUPAC Name:
4-(1-benzothiophen-3-ylmethoxy)-1-ethylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C17H15N3OS/c1-2-20-11-19-16-14(20)7-8-18-17(16)21-9-12-10-22-15-6-4-3-5-13(12)15/h3-8,10-11H,2,9H2,1H3
InChI Key:
TYKGJGYLGBPBBY-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1ccnc2OCc1csc2c1cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.387g/mol
Monoisotopic Mass:
309.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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