Basic information
- Standard SMILES
CC[C@H]1COC(=O)N1c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)OC- InChIKey
FDRVGELEEDBWHJ-HNNXBMFYSA-N- Molecular formula
- C21H23ClN2O5
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.1295495
Names & identifiers
- Preferred name
- 2-(4-Chloro-2,6-dimethyl-phenoxy)-4-(S)-(4-ethyl-2-oxo-oxazolidin-3-yl)-6-methyl-nicotinic acid methyl ester
- IUPAC
- methyl 2-(4-chloro-2,6-dimethylphenoxy)-4-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-6-methylpyridine-3-carboxylate
Names & synonyms
SCHEMBL5844033FDRVGELEEDBWHJ-HNNXBMFYSA-N2-(4-Chloro-2,6-dimethyl-phenoxy)-4-(S)-(4-ethyl-2-oxo-oxazolidin-3-yl)-6-methyl-nicotinic acid methyl ester
Database identifiers
- PubChem CID
- 69587547
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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