Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc3ncnn3c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
MYTKDJGZGAVDKP-MMTVBGGISA-N- Molecular formula
- C28H30N4O3
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.23179083
Names & identifiers
- Preferred name
- (S)-3-((S)-1-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]ethyl]-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL617645CHEMBL3660140MYTKDJGZGAVDKP-MMTVBGGISA-NBDBM108092US8598163, 3(S)-3-((S)-1-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 46865563
- ChEMBL
CHEMBL3660140
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Related reactions
1 records
Compound notes
Loading…