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Basic information
- Standard SMILES
Cc1cc(C)cc(-c2[nH]c3ncc(C(C)(C)C(=O)O)cc3c2C(C)COCc2ccccc2)c1- InChIKey
VUOVBIDETSVRAL-UHFFFAOYSA-N- Molecular formula
- C29H32N2O3
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.24129289
Names & identifiers
- Preferred name
- 2-[2-(3,5-dimethylphenyl)-3-(1-phenylmethoxypropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropanoic acid
- IUPAC
- 2-[2-(3,5-dimethylphenyl)-3-(1-phenylmethoxypropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropanoic acid
Names & synonyms
SCHEMBL7967244
Database identifiers
- PubChem CID
- 21998693
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 666
Related reactions
2 records
Compound notes
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