Molecules/4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile
4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile
[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate
Molecular Identity
4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile
[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate
PubChem CID: 9807507
BMS 379224 is an amine.
2D Structure
Properties
C23H20F2N5O5PS
Molecular Formula
547.50
Molecular Weight
g/mol
547.0891
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
172
TPSA
May have limited oral absorption
2
H-Bond Donors
12
H-Bond Acceptors
859
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCOP(=O)(O)OIsomeric SMILES
SMILES: C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCOP(=O)(O)OSynonyms(20)
Fosravuconazole351227-64-0FosravuconazolRavuconazole phosphoesterRavuconazole methylphosphateE1224 FREE ACIDRavuconazole methyl phosphateE-1224 FREE ACIDL4Q6O5430LDTXSID70188627Benzonitrile, 4-(2-((1R,2R)-2-(2,4-difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)-fosravuconazolumRefChem:1069768DTXCID30111118((((2R,3R)-3-(4-(4-cyanophenyl)-1,3-thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl)oxy)methoxy)phosphonic acid
Data from PubChem (NCBI)
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Molecular Structure
4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile
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Drug Network
Trials and conditions connected to 4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile
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