Basic information
- Standard SMILES
CCOC(=O)c1cc(Oc2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)ccc1Cl- InChIKey
FCVHXVLTIHOGCP-UHFFFAOYSA-N- Molecular formula
- C28H24Cl2F3NO6
- Average molar mass
- 598.4 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-{3-chloro-4-[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 ethyl ester
- IUPAC
- ethyl 2-chloro-5-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butan-2-yl]phenoxy]benzoate
Names & synonyms
2-Chloro-5-{3-chloro-4-[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 ethyl esterSCHEMBL474496
Database identifiers
- PubChem CID
- 66697296
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 912
Related reactions
3 records
Compound notes
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