200,000+ products from a single source!
sales@angenechem.com
120003-72-7 | 3-Pyridinecarboxylic acid, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-
CAS No: 120003-72-7 Catalog No: AG000Q1Y MDL No:
Product Description
Catalog Number:
AG000Q1Y
Chemical Name:
3-Pyridinecarboxylic acid, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-
CAS Number:
120003-72-7
Molecular Formula:
C17H17N3O5S
Molecular Weight:
375.3990
IUPAC Name:
4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C17H17N3O5S/c1-9-14(18-7-11(16(21)22)15(9)25-3)8-26(23)17-19-12-5-4-10(24-2)6-13(12)20-17/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22)
InChI Key:
QRGFNZYFRUUYBG-UHFFFAOYSA-N
SMILES:
COc1c(C)c(ncc1C(=O)O)CS(=O)c1nc2c([nH]1)cc(cc2)OC
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.089g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.399g/mol
Monoisotopic Mass:
375.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.