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1315219-77-2 | 3-Pyridinecarboxylic acid, 2-[(4,7-dimethoxy-1H-benzimidazol-1-yl)methyl]-, methyl ester
CAS No: 1315219-77-2 Catalog No: AG000ZBM MDL No:
Product Description
Catalog Number:
AG000ZBM
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(4,7-dimethoxy-1H-benzimidazol-1-yl)methyl]-, methyl ester
CAS Number:
1315219-77-2
Molecular Formula:
C17H17N3O4
Molecular Weight:
327.3346
IUPAC Name:
methyl 2-[(4,7-dimethoxybenzimidazol-1-yl)methyl]pyridine-3-carboxylate
InChI:
InChI=1S/C17H17N3O4/c1-22-13-6-7-14(23-2)16-15(13)19-10-20(16)9-12-11(17(21)24-3)5-4-8-18-12/h4-8,10H,9H2,1-3H3
InChI Key:
QQJABAIZMFJSMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccnc1Cn1cnc2c1c(OC)ccc2OC
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.34g/mol
Monoisotopic Mass:
327.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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