PC945
4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-3-methylphenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide
Molecular Identity
PC945
4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-3-methylphenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide
PubChem CID: 121383526
2D Structure
Properties
C38H37F3N6O3
Molecular Formula
682.70
Molecular Weight
g/mol
682.2879
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
84.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
PC945Opelconazole1931946-73-4Opelconazole(inn)Opelconazole [USAN]45LU8Q6ASUPC-9454-(4-(4-(((3R,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)-3-METHYLPHENYL)PIPERAZIN-1-YL)-N-(4-FLUOROPHENYL)BENZAMIDED-Threo-pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(((4-fluorophenyl)amino)carbonyl)phenyl)-1-piperazinyl)-2-methylphenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-4-(4-(4-(((3R,5R)-5-(2,4-Difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl)methoxy)-3-methylphenyl)piperazin-1-yl)-N-(4-fluorophenyl)benzamide4-[4-(4-{[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy}-3-methylphenyl)piperazin-1-yl]-N-(4-fluorophenyl)benzamideAntifungal PC945RefChem:168334Inhaled Antifungal PC945Triazole Antifungal PC945
Data from PubChem (NCBI)
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