Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(O)c(I)cc2CC1- InChIKey
RDEWVXJGHDNTJZ-UHFFFAOYSA-N- Molecular formula
- C15H20INO3
- Average molar mass
- 389.23 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl 7-hydroxy-8-iodo-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
- IUPAC
- tert-butyl 8-hydroxy-7-iodo-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
Names & synonyms
SCHEMBL3082260RDEWVXJGHDNTJZ-UHFFFAOYSA-N1,1-dimethylethyl 7-hydroxy-8-iodo-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
Database identifiers
- PubChem CID
- 59257922
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
14 records
Compound notes
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