Genaconazole
(2R,3R)-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular Identity
Genaconazole
(2R,3R)-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID: 452261
2D Structure
Properties
C13H15F2N3O3S
Molecular Formula
331.34
Molecular Weight
g/mol
331.0802
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
93.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
487
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)CIsomeric SMILES
SMILES: C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)CSynonyms(20)
GenaconazoleSch-39304120924-80-3SM-8668Sch-42427SCH393041BFZ5CM687Sch 39304SM8668threo-2-(2,4-Difluorophenyl)-3-methylsulfonyl-1-(1H-1,2,4-triazol-1-yl)butan-2-olDTXSID50873221RefChem:922153DTXCID808207281H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1-(methylsulfonyl)ethyl)-1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-((1R)-1-(methylsulfonyl)ethyl)-, (alphaR)-rel-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Genaconazole
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