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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCc2cc(Cl)ccc2NC1=O- InChIKey
UICJSGBAUXBQJD-GFCCVEGCSA-N- Molecular formula
- C15H19ClN2O3
- Average molar mass
- 310.77 g/mol
- Monoisotopic mass
- 310.1084202
Names & identifiers
- Preferred name
- ((R)-7-chloro-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-carbamic acid tert-butyl Ester
- IUPAC
- tert-butyl N-[(3R)-7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]carbamate
Names & synonyms
SCHEMBL1270295UICJSGBAUXBQJD-GFCCVEGCSA-N((R)-7-chloro-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-carbamic acid tert-butyl Ester
Database identifiers
- PubChem CID
- 57779775
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
1 records
Compound notes
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