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178980-20-6 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(3-thienylmethyl)-, hydrochloride (1:1)
CAS No: 178980-20-6 Catalog No: AG0026LW MDL No:
Product Description
Catalog Number:
AG0026LW
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(3-thienylmethyl)-, hydrochloride (1:1)
CAS Number:
178980-20-6
Molecular Formula:
C18H19Cl3N2OS2
Molecular Weight:
449.8453
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(thiophen-3-ylmethyl)imidazol-2-yl]methanol
InChI:
InChI=1S/C18H18Cl2N2OS2/c1-11(2)17-18(25-15-6-13(19)5-14(20)7-15)22(16(9-23)21-17)8-12-3-4-24-10-12/h3-7,10-11,23H,8-9H2,1-2H3
InChI Key:
DDMPMFUZJVKQDR-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1Cc1cscc1)Sc1cc(Cl)cc(c1)Cl)C(C)C.Cl
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.024g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.375g/mol
Monoisotopic Mass:
412.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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