Basic information
- Standard SMILES
CCC(C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(CCS(C)(=O)=O)cccc21- InChIKey
YHVCVZMTDFDVLN-UHFFFAOYSA-N- Molecular formula
- C22H24ClNO4S
- Average molar mass
- 433.9 g/mol
- Monoisotopic mass
- 433.1114571
Names & identifiers
- Preferred name
- Methyl 2-(4-chlorophenyl)-2-(4-(2-(methylsulfonyl)ethyl)-1H-indol-1-yl)butanoate
- IUPAC
- methyl 2-(4-chlorophenyl)-2-[4-(2-methylsulfonylethyl)indol-1-yl]butanoate
Names & synonyms
SCHEMBL11314935YHVCVZMTDFDVLN-UHFFFAOYSA-NMethyl 2-(4-chlorophenyl)-2-(4-(2-(methylsulfonyl)ethyl)-1H-indol-1-yl)butanoate
Database identifiers
- PubChem CID
- 70562004
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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