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Basic information
- Standard SMILES
COC(=O)c1ccc(OCc2nc(C3CC3)oc2Sc2ccc(Cl)cn2)cc1- InChIKey
RHJIQZFORRLSLA-UHFFFAOYSA-N- Molecular formula
- C20H17ClN2O4S
- Average molar mass
- 416.9 g/mol
Names & identifiers
- Preferred name
- Methyl 4-({5-[(5-chloropyridin-2-yl)sulfanyl]-2-cyclopropyl-1,3-oxazol-4-yl}methoxy)benzoate
- IUPAC
- methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1,3-oxazol-4-yl]methoxy]benzoate
Names & synonyms
SCHEMBL7707236RHJIQZFORRLSLA-UHFFFAOYSA-Nmethyl 4-({5-[(5-chloropyridin-2-yl)sulfanyl]-2-cyclopropyl-1,3-oxazol-4-yl}methoxy)benzoate
Database identifiers
- PubChem CID
- 54575707
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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