2-Hydroxy-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-benzoic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1cc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)ccc1O- InChIKey
IWIPHNVBVOYPOX-UHFFFAOYSA-N- Molecular formula
- C29H24N2O6S
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.13550766
Names & identifiers
- Preferred name
- 2-Hydroxy-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-benzoic acid methyl ester
- IUPAC
- methyl 2-hydroxy-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoate
Names & synonyms
SCHEMBL1516627IWIPHNVBVOYPOX-UHFFFAOYSA-N2-Hydroxy-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 59699712
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 917
Related reactions
12 records
Compound notes
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