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Basic information
- Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)NS(C)(=O)=O)(c2ccccc2)OC1=O- InChIKey
LOUIKDNRLAQSQZ-SBUREZEXSA-N- Molecular formula
- C23H29BrN2O4S
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 508.10314
Names & identifiers
- Preferred name
- N-(1-((S)-3-((S)-1-(4-bromophenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)-2-methylpropan-2-yl)methanesulfonamide
- IUPAC
- N-[1-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]-2-methylpropan-2-yl]methanesulfonamide
Names & synonyms
SCHEMBL116667LOUIKDNRLAQSQZ-SBUREZEXSA-NN-(1-((S)-3-((S)-1-(4-bromophenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)-2-methylpropan-2-yl)methanesulfonamide
Database identifiers
- PubChem CID
- 59635629
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 724
Related reactions
6 records
Compound notes
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