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Home > Imidazoles > 88264-11-3
88264-11-3 | 1H-Imidazole, 2-(cyclobutylthio)-4,5-bis(4-methoxyphenyl)-
CAS No: 88264-11-3 Catalog No: AG004AAQ MDL No:
Product Description
Catalog Number:
AG004AAQ
Chemical Name:
1H-Imidazole, 2-(cyclobutylthio)-4,5-bis(4-methoxyphenyl)-
CAS Number:
88264-11-3
Molecular Formula:
C21H22N2O2S
Molecular Weight:
366.4766
IUPAC Name:
2-cyclobutylsulfanyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
InChI:
InChI=1S/C21H22N2O2S/c1-24-16-10-6-14(7-11-16)19-20(15-8-12-17(25-2)13-9-15)23-21(22-19)26-18-4-3-5-18/h6-13,18H,3-5H2,1-2H3,(H,22,23)
InChI Key:
ZTMUDYMJHUSFQI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)SC1CCC1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.14g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.479g/mol
Monoisotopic Mass:
366.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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