Basic information
- Standard SMILES
COc1ccc(-c2[nH]c3cc(C(=O)OC(C)(C)C)ccc3c2C2CCCCC2)c(C(C)=O)c1- InChIKey
ZNKNYWUWBSKZND-UHFFFAOYSA-N- Molecular formula
- C28H33NO4
- Average molar mass
- 447.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-(2-acetyl-4-methoxyphenyl)-3-cyclohexyl-1H-indole-6-carboxylate
- IUPAC
- tert-butyl 2-(2-acetyl-4-methoxyphenyl)-3-cyclohexyl-1H-indole-6-carboxylate
Names & synonyms
SCHEMBL12653139ZNKNYWUWBSKZND-UHFFFAOYSA-Ntert-butyl 2-(2-acetyl-4-methoxyphenyl)-3-cyclohexyl-1H-indole-6-carboxylate
Database identifiers
- PubChem CID
- 68340203
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 695
Related reactions
4 records
Compound notes
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