Methyl 2-[4-[2-(4-chloro-phenyl)ethoxy]phenylthio]isobutyrate
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Basic information
- Standard SMILES
COC(=O)C(C)(C)Sc1ccc(OCCc2ccc(Cl)cc2)cc1- InChIKey
HPDVBEOKTBFEAD-UHFFFAOYSA-N- Molecular formula
- C19H21ClO3S
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 364.0899934
Names & identifiers
- Preferred name
- Methyl 2-[4-[2-(4-chloro-phenyl)ethoxy]phenylthio]isobutyrate
- IUPAC
- methyl 2-[4-[2-(4-chlorophenyl)ethoxy]phenyl]sulfanyl-2-methylpropanoate
Names & synonyms
SCHEMBL3384312HPDVBEOKTBFEAD-UHFFFAOYSA-Nmethyl 2-[4-[2-(4-chloro-phenyl)ethoxy]phenylthio]isobutyrate
Database identifiers
- PubChem CID
- 9799200
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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