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178980-16-0 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-phenylbutyl)-
CAS No: 178980-16-0 Catalog No: AG0026M0 MDL No:
Product Description
Catalog Number:
AG0026M0
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-phenylbutyl)-
CAS Number:
178980-16-0
Molecular Formula:
C23H26Cl2N2OS
Molecular Weight:
449.4363
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-(4-phenylbutyl)-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C23H26Cl2N2OS/c1-16(2)22-23(29-20-13-18(24)12-19(25)14-20)27(21(15-28)26-22)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-14,16,28H,6-7,10-11,15H2,1-2H3
InChI Key:
NLTMTKOAOAHMPN-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1CCCCc1ccccc1)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.434g/mol
Monoisotopic Mass:
448.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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