chempirical

Ravuconazole

C22H17F2N5OSCAS 182760-06-1437.47 g/mol

Open in Covalent MOL file
NNSHONNNFF
AlcoholAryl halideNitrile

Properties

Molecular formula
C22H17F2N5OS
Molar mass
437.47 g/mol
Exact mass
437.1122 Da
logP
4.24Crippen estimate
Polar surface area
87.6 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
182760-06-1
SMILES
C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIKey
OPAHEYNNJWPQPX-RCDICMHDSA-N
InChI
InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzonitrile, 4-[2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
  • Benzonitrile, 4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-, [R-(R*,R*)]-
  • 4-[2-[(1R,2R)-2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile
  • ER 30346
  • BMS 207147

Work with Ravuconazole

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

Voriconazole137234-62-957 % similar α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol182230-43-957 % similar (±)-Voriconazole188416-29-757 % similar 6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol188416-35-553 % similar (αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile241479-74-351 % similar 4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)188416-20-851 % similar 2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)1175536-50-149 % similar Efinaconazole164650-44-648 % similar

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

Same formula

Isavuconazole241479-67-4

Elsewhere

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