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1346600-29-0 | 5-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-1,3-benzodiazole
CAS No: 1346600-29-0 Catalog No: AG01DVW3 MDL No:MFCD23703017
Product Description
Catalog Number:
AG01DVW3
Chemical Name:
5-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-1,3-benzodiazole
CAS Number:
1346600-29-0
Molecular Formula:
C26H30N4O3S
Molecular Weight:
478.6064
MDL Number:
MFCD23703017
IUPAC Name:
5-methoxy-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]benzimidazole
InChI:
InChI=1S/C26H30N4O3S/c1-15-11-27-21(17(3)24(15)32-6)13-30-23-9-8-19(31-5)10-20(23)29-26(30)34-14-22-18(4)25(33-7)16(2)12-28-22/h8-12H,13-14H2,1-7H3
InChI Key:
JXYBCOHKOMSIIU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(n2Cc1ncc(c(c1C)OC)C)SCc1ncc(c(c1C)OC)C
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.204g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.611g/mol
Monoisotopic Mass:
478.204g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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