(S)-N-(2'-amino-7'-methoxy-5H-spiro[oxazole-4,9'-xanthene]-2-yl)-2,2,2-trifluoroacetamide

HCID 86640720
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2c(c1)[C@]1(COC(NC(=O)C(F)(F)F)=N1)c1cc(N)ccc1O2
InChIKey
XGPQBSDZUQPUHI-KRWDZBQOSA-N
Molecular formula
C18H14F3N3O4
Average molar mass
393.3 g/mol

Names & identifiers

Preferred name
(S)-N-(2'-amino-7'-methoxy-5H-spiro[oxazole-4,9'-xanthene]-2-yl)-2,2,2-trifluoroacetamide
IUPAC
N-[(4S)-2'-amino-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-yl]-2,2,2-trifluoroacetamide

Names & synonyms

(S)-N-(2'-amino-7'-methoxy-5H-spiro[oxazole-4,9'-xanthene]-2-yl)-2,2,2-trifluoroacetamideSCHEMBL1993386

Database identifiers

PubChem CID
86640720

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
95.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
2
Heavy atoms
28

Related reactions

4 records
New reaction record

Compound notes

Loading…