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Home > Imidazoles > 120003-79-4
120003-79-4 | Benzoic acid, 2-methyl-, [4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-3-pyridinyl]methyl ester
CAS No: 120003-79-4 Catalog No: AG000Q1T MDL No:
Product Description
Catalog Number:
AG000Q1T
Chemical Name:
Benzoic acid, 2-methyl-, [4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-3-pyridinyl]methyl ester
CAS Number:
120003-79-4
Molecular Formula:
C25H25N3O5S
Molecular Weight:
479.5481
IUPAC Name:
[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methyl 2-methylbenzoate
InChI:
InChI=1S/C25H25N3O5S/c1-15-7-5-6-8-19(15)24(29)33-13-17-12-26-22(16(2)23(17)32-4)14-34(30)25-27-20-10-9-18(31-3)11-21(20)28-25/h5-12H,13-14H2,1-4H3,(H,27,28)
InChI Key:
QANBBKVJRGFSTF-UHFFFAOYSA-N
SMILES:
COc1c(COC(=O)c2ccccc2C)cnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)OC
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.151g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.551g/mol
Monoisotopic Mass:
479.151g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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