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178979-71-0 | 1H-Imidazole-2-acetic acid, 5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS No: 178979-71-0 Catalog No: AG0026LN MDL No:
Product Description
Catalog Number:
AG0026LN
Chemical Name:
1H-Imidazole-2-acetic acid, 5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS Number:
178979-71-0
Molecular Formula:
C15H16Cl2N2O2S
Molecular Weight:
359.2707
IUPAC Name:
2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetic acid
InChI:
InChI=1S/C15H16Cl2N2O2S/c1-8(2)14-15(19(3)12(18-14)7-13(20)21)22-11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H,20,21)
InChI Key:
AGUQHZLWOXCEMA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nc(c(n1C)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.031g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.265g/mol
Monoisotopic Mass:
358.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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