Basic information
- Standard SMILES
NC1=N[C@@]2(CO1)c1cc(-c3cccnc3)ccc1Oc1cnc(-c3cccnc3)cc12- InChIKey
KHRANNDOTFGNGC-DEOSSOPVSA-N- Molecular formula
- C24H17N5O2
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.1382248
Names & identifiers
- Preferred name
- (S)-3,7-di(pyridin-3-yl)-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
- IUPAC
- (4S)-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
Names & synonyms
SCHEMBL1995831KHRANNDOTFGNGC-DEOSSOPVSA-N(S)-3,7-di(pyridin-3-yl)-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
Database identifiers
- PubChem CID
- 58466285
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
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