Basic information
- CAS
88461-86-3- Standard SMILES
CCOC(=O)c1c(C[NH+]2CCOCC2)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12.[Cl-]- InChIKey
LAYFBOYKPMCILT-UHFFFAOYSA-N- Molecular formula
- C25H28BrClN2O5
- Average molar mass
- 551.9 g/mol
- Monoisotopic mass
- 550.08701
Names & identifiers
- Preferred name
- Indole-3-carboxylic acid, 6-bromo-5-hydroxy-2-(morpholinomethyl)-1-(p-tolyl)-, ethyl ester, acetate (ester), hydrochloride
- IUPAC
- ethyl 5-acetyloxy-6-bromo-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride
Names & synonyms
88461-86-3Indole-3-carboxylic acid, 6-bromo-5-hydroxy-2-(morpholinomethyl)-1-(p-tolyl)-, ethyl ester, acetate (ester), hydrochlorideRefChem:349321
Database identifiers
- CAS
88461-86-3- PubChem CID
- 55822
Properties
Computed structural properties
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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