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178980-14-8 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(2-phenylethyl)-
CAS No: 178980-14-8 Catalog No: AG0026M1 MDL No:
Product Description
Catalog Number:
AG0026M1
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(2-phenylethyl)-
CAS Number:
178980-14-8
Molecular Formula:
C21H22Cl2N2OS
Molecular Weight:
421.3832
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-(2-phenylethyl)-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C21H22Cl2N2OS/c1-14(2)20-21(27-18-11-16(22)10-17(23)12-18)25(19(13-26)24-20)9-8-15-6-4-3-5-7-15/h3-7,10-12,14,26H,8-9,13H2,1-2H3
InChI Key:
NWMBSAWYIYEWBV-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1CCc1ccccc1)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.083g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.38g/mol
Monoisotopic Mass:
420.083g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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