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178980-17-1 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(5-phenylpentyl)-
CAS No: 178980-17-1 Catalog No: AG0026LZ MDL No:
Product Description
Catalog Number:
AG0026LZ
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(5-phenylpentyl)-
CAS Number:
178980-17-1
Molecular Formula:
C24H28Cl2N2OS
Molecular Weight:
463.4629
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-(5-phenylpentyl)-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C24H28Cl2N2OS/c1-17(2)23-24(30-21-14-19(25)13-20(26)15-21)28(22(16-29)27-23)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,17,29H,4,7-8,11-12,16H2,1-2H3
InChI Key:
SYLVFRFMWRPLES-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1CCCCCc1ccccc1)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.13g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
463.461g/mol
Monoisotopic Mass:
462.13g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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