(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-isopropyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
1114563-12-0- Standard SMILES
CC(C)n1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O- InChIKey
WILRFGPGSCIZNX-CHJDUVSTSA-N- Molecular formula
- C30H36N2O4
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.26750763
Names & identifiers
- Preferred name
- (S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-isopropyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116983CHEMBL3664674WILRFGPGSCIZNX-CHJDUVSTSA-NBDBM107618DTXSID301102525(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-isopropyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one1114563-12-0US8575157, 68(6S)-6-(2-Hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-isopropyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- CAS
1114563-12-0- PubChem CID
- 59635676
- DTXSID
DTXSID301102525- ChEMBL
CHEMBL3664674
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 864
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Related reactions
8 records
Compound notes
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