2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C26H20FNO5S — CID 123412273

IUPAC2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)CC1COc2cc(OC3CCc4c(Oc5nc6ccccc6s5)ccc(F)c43)ccc21
InChIInChI=1S/C26H20FNO5S/c27-18-8-10-20(33-26-28-19-3-1-2-4-23(19)34-26)17-7-9-21(25(17)18)32-15-5-6-16-14(11-24(29)30)13-31-22(16)12-15/h1-6,8,10,12,14,21H,7,9,11,13H2,(H,29,30)
InChIKeyVOGXUEZVNNOGFV-UHFFFAOYSA-N
MW477.51 g/mol
LogP6.24
Rot. Bonds6

About 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 123412273) has the molecular formula C26H20FNO5S and a molecular weight of 477.51 g/mol. Its IUPAC name is 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID123412273
Molecular FormulaC26H20FNO5S
Molecular Weight477.51 g/mol
Exact Mass477.10
IUPAC Name2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)CC1COc2cc(OC3CCc4c(Oc5nc6ccccc6s5)ccc(F)c43)ccc21
InChIInChI=1S/C26H20FNO5S/c27-18-8-10-20(33-26-28-19-3-1-2-4-23(19)34-26)17-7-9-21(25(17)18)32-15-5-6-16-14(11-24(29)30)13-31-22(16)12-15/h1-6,8,10,12,14,21H,7,9,11,13H2,(H,29,30)
InChIKeyVOGXUEZVNNOGFV-UHFFFAOYSA-N
XLogP6.24
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 123412273) is 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is O=C(O)CC1COc2cc(OC3CCc4c(Oc5nc6ccccc6s5)ccc(F)c43)ccc21.
What is the InChIKey of 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is VOGXUEZVNNOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO5S/c27-18-8-10-20(33-26-28-19-3-1-2-4-23(19)34-26)17-7-9-21(25(17)18)32-15-5-6-16-14(11-24(29)30)13-31-22(16)12-15/h1-6,8,10,12,14,21H,7,9,11,13H2,(H,29,30).
What are the key properties of 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 477.51 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(1,3-benzothiazol-2-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 123412273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).