Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2ccc(OS(C)(=O)=O)cc2CC1- InChIKey
VBOGVYNIICCPOS-UHFFFAOYSA-N- Molecular formula
- C16H23NO5S
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 3-(tert-Butyloxycarbonyl)-7-methanesulfonyloxy-2,3,4,5tetrahydro-1H-3-benzazepine
- IUPAC
- tert-butyl 7-methylsulfonyloxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
Names & synonyms
SCHEMBL4039631VBOGVYNIICCPOS-UHFFFAOYSA-N3-(tert-butyloxycarbonyl)-7-methanesulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine3-(tert-Butyloxycarbonyl)-7-methanesulfonyloxy-2,3,4,5tetrahydro-1H-3-benzazepine3-(tert-Butyloxycarbonyl)-7-methanesulphonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine
Database identifiers
- PubChem CID
- 11279289
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 520
Related reactions
6 records
Compound notes
Loading…