Cp-195543
2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid
Molecular Identity
Cp-195543
2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid
PubChem CID: 9823886
2D Structure
Properties
C24H19F3O4
Molecular Formula
428.40
Molecular Weight
g/mol
428.1235
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
618
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4Isomeric SMILES
SMILES: C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4Synonyms(20)
CP-195543204981-48-6CP-195,543YB1F0V77MKCP 195543Benzoic acid, 2-((3S,4R)-3,4-dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl)-4-(trifluoromethyl)-CP1955432-((3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl)-4-(trifluoromethyl)benzoic acid2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acidRefChem:1283132-((3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)-4-(trifluoromethyl)benzoic acidUNII-YB1F0V77MKCHEMBL3018292-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoic acid
Data from PubChem (NCBI)
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