tert-Butyl (7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)carbamate
Basic information
- CAS
2633666-86-9- Standard SMILES
CC(C)(C)OC(=O)Nc1nc2c(B3OC(C)(C)C(C)(C)O3)ccc(F)c2s1- InChIKey
MOGVIYKYDYLGKU-UHFFFAOYSA-N- Molecular formula
- C18H24BFN2O4S
- Average molar mass
- 394.3 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)carbamate
- IUPAC
- tert-butyl N-[7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]carbamate
- English name
- Carbamic acid, N-[7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-benzothiazolyl]-, 1,1-dimethylethyl ester
- Molecular formula
- C18H24BFN2O4S
- Molecular weight
- 394.27
Names & synonyms
2633666-86-9tert-Butyl (7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)carbamateSCHEMBL23137524AT44965DB-419112tert-butyl 7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-ylcarbamatetert-butyl N-[7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]carbamateINTER5Carbamic acid, N-[7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-benzothiazolyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
2633666-86-9
Properties
Computed structural properties
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 6.47 · 6.47±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…