2-(4-(5-(2-Cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)ethyl methanesulfonate
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Basic information
- Standard SMILES
CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OCCOS(C)(=O)=O- InChIKey
GXLOCEHFXOKZEU-UHFFFAOYSA-N- Molecular formula
- C25H31N3O6S
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-(5-(2-Cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)ethyl methanesulfonate
- IUPAC
- 2-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethyl methanesulfonate
Names & synonyms
SCHEMBL11297912GXLOCEHFXOKZEU-UHFFFAOYSA-N2-(4-(5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)ethyl methanesulfonate
Database identifiers
- PubChem CID
- 86702018
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 759
Related reactions
3 records
Compound notes
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