N-[(2R,4S,4aS)-rel-11-fluoro-2,4-dimethyl-2',4',6'-trioxo-1,1',2,3',4,4',4a,6'-octahydro-2'H,6H-spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidin]-8-yl]acetamide

HCID 67433504
NotesReactions
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Basic information

Standard SMILES
CC(=O)Nc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31
InChIKey
SOKJBFLDJIUGCW-VGZKNDNBSA-N
Molecular formula
C20H20FN5O6
Average molar mass
445.4 g/mol

Names & identifiers

Preferred name
N-[(2R,4S,4aS)-rel-11-fluoro-2,4-dimethyl-2',4',6'-trioxo-1,1',2,3',4,4',4a,6'-octahydro-2'H,6H-spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidin]-8-yl]acetamide
IUPAC
N-[(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-yl]acetamide

Names & synonyms

SCHEMBL2508502CHEMBL3658921SOKJBFLDJIUGCW-VGZKNDNBSA-NBDBM159850US9040528, 6N-[(2R,4S,4aS)-rel-11-fluoro-2,4-dimethyl-2',4',6'-trioxo-1,1',2,3',4,4',4a,6'-octahydro-2'H,6H-spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidin]-8-yl]acetamide

Database identifiers

PubChem CID
67433504
ChEMBL
CHEMBL3658921

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
143 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
1
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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N-[(2R,4S,4aS)-rel-11-fluoro-2,4-dimethyl-2',4',6'-trioxo-1,1',2,3',4,4',4a,6'-octahydro-2'H,6H-spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidin]-8-yl]acetamide (HCID 67433504)｜Huagongshe