3'-Chloro-3-fluoro-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]-biphenyl-4-carboxylic acid methyl ester

HCID 66697271

Basic information

Standard SMILES
COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)cc1F
InChIKey
NXHPQJQQTJDYCE-UHFFFAOYSA-N
Molecular formula
C27H22ClF4NO5
Average molar mass
551.9 g/mol

Names & identifiers

Preferred name
3'-Chloro-3-fluoro-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]-biphenyl-4-carboxylic acid methyl ester
IUPAC
methyl 4-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butan-2-yl]phenyl]-2-fluorobenzoate

Names & synonyms

3'-Chloro-3-fluoro-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]-biphenyl-4-carboxylic acid methyl esterSCHEMBL474457

Database identifiers

PubChem CID
66697271

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
38

Related reactions

3 records

Compound notes

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