Basic information
- Standard SMILES
Cc1nc2c(ccn2Cc2cc(F)ccc2F)c(-c2ccc3c(c2)CCCO3)c1C(OC(C)(C)C)C(=O)O- InChIKey
TUYRWHVJXDKHOS-UHFFFAOYSA-N- Molecular formula
- C30H30F2N2O4
- Average molar mass
- 520.6 g/mol
Names & identifiers
- Preferred name
- 2-Tert-butoxy-2-[4-chroman-6-yl-1-[(2,5-difluorophenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
- IUPAC
- 2-[1-[(2,5-difluorophenyl)methyl]-4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
SCHEMBL14576953TUYRWHVJXDKHOS-UHFFFAOYSA-N2-(tert-butoxy)-2-(4-(chroman-6-yl)-1-(2,5-difluorobenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid2-tert-butoxy-2-[4-chroman-6-yl-1-[(2,5-difluorophenyl)methyl]-6-methyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
Database identifiers
- PubChem CID
- 71209274
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 825
Related reactions
1 records
Compound notes
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