Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(Cl)ccc2n1Cc1cc(C(C)(C)C)ccc1OC- InChIKey
KCWCVUGMVLSATP-UHFFFAOYSA-N- Molecular formula
- C23H26ClNO3
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1601214
Names & identifiers
- Preferred name
- 1-(5-tert-butyl-2-methoxybenzyl)-5-chloro-1H-indole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[(5-tert-butyl-2-methoxyphenyl)methyl]-5-chloroindole-2-carboxylate
Names & synonyms
SCHEMBL3209376KCWCVUGMVLSATP-UHFFFAOYSA-N1-(5-tert-butyl-2-methoxybenzyl)-5-chloro-1H-indole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68550604
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
Related reactions
3 records
Compound notes
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