Tecarfarin
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) 4-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate
Molecular Identity
Tecarfarin
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) 4-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate
PubChem CID: 54718618
2D Structure
Properties
C21H14F6O5
Molecular Formula
460.30
Molecular Weight
g/mol
460.0745
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
72.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
750
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(F)(F)F)(C(F)(F)F)OC(=O)C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)OIsomeric SMILES
SMILES: CC(C(F)(F)F)(C(F)(F)F)OC(=O)C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)OSynonyms(20)
TECARFARIN867257-26-9ATI-5923TecarfarinaTecarfarine1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoate1,1,1,3,3,3-HEXAFLUORO-2-METHYLPROPAN-2-YL 4-[(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)METHYL]BENZOATEWN1479YT50ATI5923DTXSID90235788tecarfarinum1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl)benzoate1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl 4-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]benzoateRefChem:891271DTXCID20158279
Data from PubChem (NCBI)
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