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934293-92-2 | 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole-4,5,7-d3
CAS No: 934293-92-2 Catalog No: AG01EPRN MDL No:
Product Description
Catalog Number:
AG01EPRN
Chemical Name:
6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole-4,5,7-d3
CAS Number:
934293-92-2
Molecular Formula:
C17H16D3N3O3S
Molecular Weight:
348.4345
IUPAC Name:
4,5,7-trideuterio-6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
InChI:
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i5D,6D,7D
InChI Key:
SUBDBMMJDZJVOS-CRSPMMAGSA-N
SMILES:
COc1c(C)cnc(c1C)CS(=O)c1nc2c([nH]1)c([2H])c(c(c2[2H])OC)[2H]
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
348.435g/mol
Monoisotopic Mass:
348.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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