3-{9-[3-methoxy-4-((5-methyl-2-(thiophene-2-yl)-oxazole-4-yl)methoxy)-benzyl]-9H-carbazole-4-yloxy}-2,2-dimethyl-propionic acid

HCID 11635718
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Basic information

Standard SMILES
COc1cc(Cn2c3ccccc3c3c(OCC(C)(C)C(=O)O)cccc32)ccc1OCc1nc(-c2cccs2)oc1C
InChIKey
ONAADZHUQIDOLZ-UHFFFAOYSA-N
Molecular formula
C34H32N2O6S
Average molar mass
596.7 g/mol

Names & identifiers

Preferred name
3-{9-[3-methoxy-4-((5-methyl-2-(thiophene-2-yl)-oxazole-4-yl)methoxy)-benzyl]-9H-carbazole-4-yloxy}-2,2-dimethyl-propionic acid
IUPAC
3-[9-[[3-methoxy-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxy-2,2-dimethylpropanoic acid

Names & synonyms

SCHEMBL1731231ONAADZHUQIDOLZ-UHFFFAOYSA-N3-{9-[3-methoxy-4-((5-methyl-2-(thiophene-2-yl)-oxazole-4-yl)methoxy)-benzyl]-9H-carbazole-4-yloxy}-2,2-dimethyl-propionic acid

Database identifiers

PubChem CID
11635718

Properties

Computed structural properties

XLogP
7
Topological polar surface area
124 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
43

Related reactions

2 records
New reaction record

Compound notes

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