Basic information
- Standard SMILES
COCCOc1cc2cc(C(=O)O)n(CCO[C@@H]3CCC[C@H](OCc4nc(-c5cccc(C)c5)oc4C)C3)c2cn1- InChIKey
BWTBIOBADTWJQK-RPBOFIJWSA-N- Molecular formula
- C31H37N3O7
- Average molar mass
- 563.6 g/mol
Names & identifiers
- Preferred name
- (1R,3S)-5-(2-methoxyethoxy)-1-{2-[3-(5-methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]ethyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
- IUPAC
- 5-(2-methoxyethoxy)-1-[2-[(1R,3S)-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pyrrolo[2,3-c]pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL2576113BWTBIOBADTWJQK-RPBOFIJWSA-N(1R,3S)-5-(2-Methoxyethoxy)-1-{2-[3-(5-methyl-2-m-tolyloxazol-4-yl-methoxy)cyclohexyloxy]ethyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid(1R,3S)-5-(2-methoxyethoxy)-1-{2-[3-(5-methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]ethyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 59820059
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 821
Related reactions
1 records
Compound notes
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