(S)-6-(2-Hydroxy-2-methyl-propyl)-6-phenyl-3-((S)-1-{4-[1-((S)-tetrahydro-furan-3-yl)-1H-pyrazol-4-yl]-phenyl}-ethyl)-[1,3]oxazinan-2-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2cnn([C@H]3CCOC3)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
FMMDUSUVMBPTLG-VFXRXZKFSA-N- Molecular formula
- C29H35N3O4
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.26275661
Names & identifiers
- Preferred name
- (S)-6-(2-Hydroxy-2-methyl-propyl)-6-phenyl-3-((S)-1-{4-[1-((S)-tetrahydro-furan-3-yl)-1H-pyrazol-4-yl]-phenyl}-ethyl)-[1,3]oxazinan-2-one
- IUPAC
- (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL12071467FMMDUSUVMBPTLG-VFXRXZKFSA-N(S)-6-(2-Hydroxy-2-methyl-propyl)-6-phenyl-3-((S)-1-{4-[1-((S)-tetrahydro-furan-3-yl)-1H-pyrazol-4-yl]-phenyl}-ethyl)-[1,3]oxazinan-2-one
Database identifiers
- PubChem CID
- 54771079
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 749
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Related reactions
2 records
Compound notes
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