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120003-83-0 | 3-Pyridinecarboxylic acid, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-, methyl ester
CAS No: 120003-83-0 Catalog No: AG000Q1S MDL No:
Product Description
Catalog Number:
AG000Q1S
Chemical Name:
3-Pyridinecarboxylic acid, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-, methyl ester
CAS Number:
120003-83-0
Molecular Formula:
C18H19N3O5S
Molecular Weight:
389.4256
IUPAC Name:
methyl 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylate
InChI:
InChI=1S/C18H19N3O5S/c1-10-15(19-8-12(16(10)25-3)17(22)26-4)9-27(23)18-20-13-6-5-11(24-2)7-14(13)21-18/h5-8H,9H2,1-4H3,(H,20,21)
InChI Key:
PSGWLKSVKMHJHJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(n2)S(=O)Cc1ncc(c(c1C)OC)C(=O)OC
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.105g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.426g/mol
Monoisotopic Mass:
389.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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