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178980-53-5 | 1H-Imidazole-1-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-2-[(phenylmethoxy)methyl]-
CAS No: 178980-53-5 Catalog No: AG0026MJ MDL No:
Product Description
Catalog Number:
AG0026MJ
Chemical Name:
1H-Imidazole-1-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-2-[(phenylmethoxy)methyl]-
CAS Number:
178980-53-5
Molecular Formula:
C22H24Cl2N2O2S
Molecular Weight:
451.4092
IUPAC Name:
2-[5-(3,5-dichlorophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]ethanol
InChI:
InChI=1S/C22H24Cl2N2O2S/c1-15(2)21-22(29-19-11-17(23)10-18(24)12-19)26(8-9-27)20(25-21)14-28-13-16-6-4-3-5-7-16/h3-7,10-12,15,27H,8-9,13-14H2,1-2H3
InChI Key:
QEMLENQIJSJTAW-UHFFFAOYSA-N
SMILES:
OCCn1c(COCc2ccccc2)nc(c1Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.094g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.406g/mol
Monoisotopic Mass:
450.094g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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