Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(OCCOC)ncc2n1CCOC1CCCC(OCc2nc(-c3cccc(C)c3)oc2C)C1- InChIKey
BNNNUOPDLWHDKT-UHFFFAOYSA-N- Molecular formula
- C33H41N3O7
- Average molar mass
- 591.7 g/mol
- Monoisotopic mass
- 591.29445066
Names & identifiers
- Preferred name
- Ethyl 5-(2-methoxyethoxy)-1-{2-[3-(5-methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]ethyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
- IUPAC
- ethyl 5-(2-methoxyethoxy)-1-[2-[3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]pyrrolo[2,3-c]pyridine-2-carboxylate
Names & synonyms
SCHEMBL2585240BNNNUOPDLWHDKT-UHFFFAOYSA-NEthyl 5-(2-methoxyethoxy)-1-{2-[3-(5-methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]ethyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
Database identifiers
- PubChem CID
- 67463595
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 851
Related reactions
4 records
Compound notes
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