Basic information
- Standard SMILES
COC(=O)c1ccc(Oc2ccc(Cl)c(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c2)cc1- InChIKey
JICRNUMBEZEYFS-UHFFFAOYSA-N- Molecular formula
- C27H23ClF3NO6
- Average molar mass
- 549.9 g/mol
Names & identifiers
- Preferred name
- 4-{4-Chloro-3-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-benzoic acid methyl ester
- IUPAC
- methyl 4-[4-chloro-3-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butan-2-yl]phenoxy]benzoate
Names & synonyms
4-{4-Chloro-3-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-benzoic acid methyl esterSCHEMBL474364
Database identifiers
- PubChem CID
- 66697214
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 853
Related reactions
3 records
Compound notes
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