Basic information
- Standard SMILES
COc1cc(OC)nc(Oc2cccc(Cl)c2C(=O)OSc2ccncc2)n1- InChIKey
SZWZIZVJFGYXFH-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O5S
- Average molar mass
- 419.8 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid 4-pyridylthio ester
- IUPAC
- pyridin-4-ylsulfanyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
Names & synonyms
SCHEMBL8939084SZWZIZVJFGYXFH-UHFFFAOYSA-N6-Chloro-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid 4-pyridylthio ester
Database identifiers
- PubChem CID
- 54333374
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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