(4S,6S)-4-(2-fluoro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)phenyl)-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine

HCID 86732150
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Basic information

Standard SMILES
CC#Cc1cncc(-c2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c1
InChIKey
DHWUQWORXAPEQU-PKOBYXMFSA-N
Molecular formula
C20H16F5N3O
Average molar mass
409.4 g/mol

Names & identifiers

Preferred name
(4S,6S)-4-(2-fluoro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)phenyl)-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
IUPAC
(4S,6S)-4-(fluoromethyl)-4-[2-fluoro-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

Names & synonyms

(4S,6S)-4-(2-fluoro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)phenyl)-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-2-amineCHEMBL3906965SCHEMBL15990777BDBM214905US9296734, 104

Database identifiers

PubChem CID
86732150
ChEMBL
CHEMBL3906965

Properties

Computed structural properties

XLogP
4
Topological polar surface area
60.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
29

Related reactions

1 records
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Compound notes

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