(S)-2-amino-2'-(cyclopropylethynyl)-5H-spiro[oxazole-4,9'-xanthen]-7'-ol
Basic information
- Standard SMILES
NC1=N[C@]2(CO1)c1cc(O)ccc1Oc1ccc(C#CC3CC3)cc12- InChIKey
CJCAPISHSKYMJM-FQEVSTJZSA-N- Molecular formula
- C20H16N2O3
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-amino-2'-(cyclopropylethynyl)-5H-spiro[oxazole-4,9'-xanthen]-7'-ol
- IUPAC
- (4S)-2-amino-7'-(2-cyclopropylethynyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
Names & synonyms
SCHEMBL1994442CJCAPISHSKYMJM-FQEVSTJZSA-N(S)-2-amino-2'-(cyclopropylethynyl)-5H-spiro[oxazole-4,9'-xanthen]-7'-ol
Database identifiers
- PubChem CID
- 67240959
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 646
Related reactions
4 records
Compound notes
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