Rintodestrant
(E)-3-[4-[[2-(4-fluoro-2,6-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
Molecular Identity
Rintodestrant
(E)-3-[4-[[2-(4-fluoro-2,6-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
PubChem CID: 129205616
2D Structure
Properties
C26H19FO5S
Molecular Formula
462.50
Molecular Weight
g/mol
462.0937
Exact Mass
Da
6.6
XLogP
Above Lipinski threshold
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1C(=O)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)C=CC(=O)O)C)FIsomeric SMILES
SMILES: CC1=CC(=CC(=C1C(=O)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O)C)FSynonyms(20)
Rintodestrant2088518-51-6G1T48Rintodestrant [USAN]XR5-28W3Y784Y0ESGIT48UNII-W3Y784Y0ESGIT-48Rintodestrant (USAN)G1T-48RINTODESTRANT [INN]RINTODESTRANT [WHO-DD]2-Propenoic acid, 3-(4-((2-(4-fluoro-2,6-dimethylbenzoyl)-6-hydroxybenzo(b)thien-3-yl)oxy)phenyl)-, (2E)-(2E)-3-(4-((2-(4-Fluoro-2,6-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl)oxy)phenyl)prop-2-enoic acid
Data from PubChem (NCBI)
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