Basic information
- Standard SMILES
CC(c1cc(Oc2cccc(CC#N)c2)ccc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F- InChIKey
OHYFHKKJESOHFU-UHFFFAOYSA-N- Molecular formula
- C27H22ClF3N2O4
- Average molar mass
- 530.9 g/mol
Names & identifiers
- Preferred name
- (3-{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}-phenyl)-acetonitrile
- IUPAC
- 2-[3-[4-chloro-3-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butan-2-yl]phenoxy]phenyl]acetonitrile
Names & synonyms
(3-{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}-phenyl)-acetonitrileSCHEMBL474372
Database identifiers
- PubChem CID
- 66697216
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 866
Related reactions
2 records
Compound notes
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