Basic information
- Standard SMILES
COC(=O)Cn1c(C)c(Oc2ccc(Cl)cc2)c2cc(SC)ccc21- InChIKey
ZNMNWHLYMQMFPV-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO3S
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.0695923
Names & identifiers
- Preferred name
- 3-(4-chlorophenoxy)-2-methyl-5-(methylthio)-1H-indole-1-acetic acid, methyl ester
- IUPAC
- methyl 2-[3-(4-chlorophenoxy)-2-methyl-5-methylsulfanylindol-1-yl]acetate
Names & synonyms
ZNMNWHLYMQMFPV-UHFFFAOYSA-N3-(4-chlorophenoxy)-2-methyl-5-(methylthio)-1H-indole-1-acetic acid, methyl ester
Database identifiers
- PubChem CID
- 86609233
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Related reactions
2 records
Compound notes
Loading…