Carbamic acid, N-[(2-bromo-6,7-dihydro-5H,9H-imidazo[2,1-c][1,4]oxazepin-7-yl)methyl]-, 1,1-dimethylethyl ester
Basic information
- CAS
1251004-34-8- Standard SMILES
CC(C)(C)OC(=O)NCC1CCn2cc(Br)nc2CO1- InChIKey
XOSRSIREIGNPRR-UHFFFAOYSA-N- Molecular formula
- C13H20BrN3O3
- Average molar mass
- 346.22 g/mol
- Monoisotopic mass
- 345.0688
Names & identifiers
- Preferred name
- Carbamic acid, N-[(2-bromo-6,7-dihydro-5H,9H-imidazo[2,1-c][1,4]oxazepin-7-yl)methyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[(2-bromo-5,6,7,9-tetrahydroimidazo[2,1-c][1,4]oxazepin-7-yl)methyl]carbamate
Names & synonyms
DTXSID7011079151251004-34-8Carbamic acid, N-[(2-bromo-6,7-dihydro-5H,9H-imidazo[2,1-c][1,4]oxazepin-7-yl)methyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1251004-34-8- PubChem CID
- 165367358
- DTXSID
DTXSID701107915
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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