6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

C₁₆H₁₃ClF₃N₅OCAS 188416-35-5383.76 g/mol

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Alcohol Aryl halide

Properties

Molecular formula: C₁₆H₁₃ClF₃N₅O
Molar mass: 383.76 g/mol
Exact mass: 383.0761 Da
logP: 2.83Crippen estimate
Polar surface area: 76.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Identifiers

CAS number

188416-35-5

SMILES

CC(c1ncnc(Cl)c1F)C(O)(Cn1cncn1)c1ccc(F)cc1F

InChIKey

BQDLXFABVRRDFU-UHFFFAOYSA-N

InChI

InChI=1S/C16H13ClF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3

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Names and synonyms

1 names

4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-

Work with 6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)188416-20-895 % similar Voriconazole137234-62-973 % similar α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol182230-43-973 % similar (±)-Voriconazole188416-29-773 % similar 2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)1175536-50-154 % similar Efinaconazole164650-44-653 % similar Ravuconazole182760-06-153 % similar 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-127000-90-253 % similar

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

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