ALBACONAZOLE
7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
Molecular Identity
ALBACONAZOLE
7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
PubChem CID: 208952
2D Structure
Properties
C20H16ClF2N5O2
Molecular Formula
431.80
Molecular Weight
g/mol
431.0961
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
83.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
673
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ALBACONAZOLE187949-02-6UR-9825AlbaconazolYDW24Y8IABW-00277-Chloro-3-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)quinazolin-4(3H)-one7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-oneDTXSID3058244W00274(3H)-Quinazolinone, 7-chloro-3-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4(3H)-Quinazolinone, 7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-7-chloro-3-(2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)quinazolin-4(3H)-onealbaconazolum7-Chloro-3-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl)quinazolin-4-one
Data from PubChem (NCBI)
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