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169905-00-4 | 2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE
CAS No: 169905-00-4 Catalog No: AG007UKT MDL No:
Product Description
Catalog Number:
AG007UKT
Chemical Name:
2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE
CAS Number:
169905-00-4
Molecular Formula:
C16H18N3O2S
Molecular Weight:
316.3980
IUPAC Name:
2-[(4-ethoxy-3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
InChI:
InChI=1S/C16H17N3O2S/c1-3-21-15-8-9-17-14(11(15)2)10-22(20)16-18-12-6-4-5-7-13(12)19-16/h4-9H,3,10H2,1-2H3,(H,18,19)
InChI Key:
FFCVPILAAMEZHO-UHFFFAOYSA-N
SMILES:
CCOc1ccnc(c1C)[S](=O)(c1nc2c([nH]1)cccc2)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.391g/mol
Monoisotopic Mass:
315.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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