Basic information
- Standard SMILES
COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2ccc(OC)cc2n1C- InChIKey
XMKHZEXOFHGUAB-UHFFFAOYSA-N- Molecular formula
- C20H29NO3S
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.18681496
Names & identifiers
- Preferred name
- Methyl 3-[N-methyl-3-(t-butylthio)-6-methoxyindol-2-yl]-2,2-dimethylpropanoate
- IUPAC
- methyl 3-(3-tert-butylsulfanyl-6-methoxy-1-methylindol-2-yl)-2,2-dimethylpropanoate
Names & synonyms
SCHEMBL9216395XMKHZEXOFHGUAB-UHFFFAOYSA-NMethyl 3-[N-methyl-3-(t-butylthio)-6-methoxyindol-2-yl]-2,2-dimethylpropanoate
Database identifiers
- PubChem CID
- 18947604
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
4 records
Compound notes
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