Basic information
- Standard SMILES
C[C@H]1OC[C@]2(c3cc(B4OC(C)(C)C(C)(C)O4)ccc3F)N=C(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)SC[C@H]12- InChIKey
WGQMNCWGRVHXAX-IOPIDLMNSA-N- Molecular formula
- C29H42BFN2O7S
- Average molar mass
- 592.5 g/mol
Names & identifiers
- Preferred name
- di-tert-Butyl{(4aS,5R,7aS)-7a-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-methyl-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl}imidodicarbonate
- IUPAC
- tert-butyl N-[(4aS,5R,7aS)-7a-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
SCHEMBL15986290WGQMNCWGRVHXAX-IOPIDLMNSA-Ndi-tert-Butyl {(4aS,5R,7aS)-7a-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-methyl-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl}imidodicarbonatedi-tert-Butyl{(4aS,5R,7aS)-7a-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-methyl-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl}imidodicarbonate
Database identifiers
- PubChem CID
- 86707804
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
3 records
Compound notes
Loading…