Basic information
- Standard SMILES
Cc1ccc(Cn2ccc3c(-c4ccc5c(c4)CCCO5)c(C(OC(C)(C)C)C(=O)O)c(C)nc32)cc1F- InChIKey
ITBNSYHSYWMCBQ-UHFFFAOYSA-N- Molecular formula
- C31H33FN2O4
- Average molar mass
- 516.6 g/mol
Names & identifiers
- Preferred name
- 2-Tert-butoxy-2-[4-chroman-6-yl-1-[(3-fluoro-4-methyl-phenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
- IUPAC
- 2-[4-(3,4-dihydro-2H-chromen-6-yl)-1-[(3-fluoro-4-methylphenyl)methyl]-6-methylpyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
SCHEMBL14577379ITBNSYHSYWMCBQ-UHFFFAOYSA-N2-(tert-butoxy)-2-(4-(chroman-6-yl)-1-(3-fluoro-4-methylbenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid2-tert-butoxy-2-[4-chroman-6-yl-1-[(3-fluoro-4-methyl-phenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
Database identifiers
- PubChem CID
- 71209464
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 820
Related reactions
1 records
Compound notes
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