Basic information
- Standard SMILES
CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(Oc4ccc(C(=O)OC)c(Cl)n4)cc3Cl)C(F)(F)F)cc21- InChIKey
AOLCQSUXPPWALL-UHFFFAOYSA-N- Molecular formula
- C27H23Cl2F3N2O6
- Average molar mass
- 599.4 g/mol
- Monoisotopic mass
- 598.0885263
Names & identifiers
- Preferred name
- 2-Chloro-6-{3-chloro-4-[2-(4-ethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenoxy}-nicotinic acid methyl ester
- IUPAC
- methyl 2-chloro-6-[3-chloro-4-[3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]phenoxy]pyridine-3-carboxylate
Names & synonyms
2-Chloro-6-{3-chloro-4-[2-(4-ethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenoxy}-nicotinic acid methyl esterSCHEMBL474588
Database identifiers
- PubChem CID
- 86645875
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 916
Related reactions
3 records
Compound notes
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