Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccn(C(F)F)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
HOIIUDAZGJZKGR-VKGTZQKMSA-N- Molecular formula
- C28H30F2N2O4
- Average molar mass
- 496.5 g/mol
- Monoisotopic mass
- 496.21736377
Names & identifiers
- Preferred name
- (S)-3-((S)-1-(4-(1-(difluoromethyl)-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-[4-[1-(difluoromethyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
(S)-3-((S)-1-(4-(1-(difluoromethyl)-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-oneSCHEMBL117612CHEMBL3664696BDBM107642US8575157, 5
Database identifiers
- PubChem CID
- 59635811
- ChEMBL
CHEMBL3664696
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 875
Related reactions
1 records
Compound notes
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