Basic information
- Standard SMILES
C=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3ccc(N)nc3)cc2)C(=O)O1- InChIKey
VFITZHXSLWGNLA-HFJWLAOPSA-N- Molecular formula
- C26H26FN3O2
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- (R)-6-allyl-3-((S)-1-(4-(6-aminopyridin-3-yl)phenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
- IUPAC
- (6R)-3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL118659VFITZHXSLWGNLA-HFJWLAOPSA-N(R)-6-allyl-3-((S)-1-(4-(6-aminopyridin-3-yl) phenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one(R)-6-allyl-3-((S)-1-(4-(6-aminopyridin-3-yl)phenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635707
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
16 records
Compound notes
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