Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccn(C3COC3)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
CMCLOQAYKFVBCI-JRPXNJEYSA-N- Molecular formula
- C30H34N2O5
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.24677219
Names & identifiers
- Preferred name
- (S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-{4-[1-(oxetan-3-yl)-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-[1-(oxetan-3-yl)-2-oxo-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL12072796CMCLOQAYKFVBCI-JRPXNJEYSA-N(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-{4-[1-(oxetan-3-yl)-2-oxo-1,2-dihydropyridin-4-yl]phenyl}ethyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 54771311
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 911
Related reactions
2 records
Compound notes
Loading…