2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

C₂₁H₂₁F₂N₃O₄SCAS 149809-43-8449.47 g/mol

Open in Covalent MOL file

Aryl halide Ether Sulfonate ester

Properties

Molecular formula: C₂₁H₂₁F₂N₃O₄S
Molar mass: 449.47 g/mol
Exact mass: 449.1221 Da
logP: 3.20Crippen estimate
Polar surface area: 83.3 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 7
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

149809-43-8

SMILES

Cc1ccc(S(=O)(=O)OC[C@@H]2CO[C@@](Cn3cncn3)(c3ccc(F)cc3F)C2)cc1

InChIKey

DFWVLCJRFGIRAK-KKSFZXQISA-N

InChI

InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21-/m0/s1

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Names and synonyms

1 names

D-Threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Work with 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

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Similar compounds

2,5-Anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol175712-02-483 % similar 2-(2,4-Difluorophenyl)-2,3-epoxy-1-(1H-1,2,4-triazol-1-yl)propane methanesulfonate salt86386-77-853 % similar Fosfluconazole194798-83-949 % similar 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-127000-90-247 % similar Posaconazole171228-49-247 % similar Fluconazole86386-73-444 % similar 2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)1175536-50-143 % similar Voriconazole137234-62-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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