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178980-27-3 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-methyl-3-pyridinyl)methyl]-, carbamate (ester) (9CI)
CAS No: 178980-27-3 Catalog No: AG0026LR MDL No:
Product Description
Catalog Number:
AG0026LR
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-methyl-3-pyridinyl)methyl]-, carbamate (ester) (9CI)
CAS Number:
178980-27-3
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-methylpyridin-3-yl)methyl]-4-propan-2-ylimidazol-2-yl]methyl carbamate
InChI:
InChI=1S/C21H22Cl2N4O2S/c1-12(2)19-20(30-17-8-15(22)7-16(23)9-17)27(18(26-19)11-29-21(24)28)10-14-5-4-6-25-13(14)3/h4-9,12H,10-11H2,1-3H3,(H2,24,28)
InChI Key:
DDYKXRIDIMRLPA-UHFFFAOYSA-N
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.084g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.393g/mol
Monoisotopic Mass:
464.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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