methyl 4-bromo-3-{(1S)-2-[(tert-butoxycarbonyl)amino]-1-methylethoxy}thiophene-2-carboxylate
Basic information
- Standard SMILES
COC(=O)c1scc(Br)c1O[C@@H](C)CNC(=O)OC(C)(C)C- InChIKey
DKGZSAPTZZPHEY-QMMMGPOBSA-N- Molecular formula
- C14H20BrNO5S
- Average molar mass
- 394.28 g/mol
- Monoisotopic mass
- 393.02456
Names & identifiers
- Preferred name
- methyl 4-bromo-3-{(1S)-2-[(tert-butoxycarbonyl)amino]-1-methylethoxy}thiophene-2-carboxylate
- IUPAC
- methyl 4-bromo-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxythiophene-2-carboxylate
Names & synonyms
SCHEMBL9902153DKGZSAPTZZPHEY-QMMMGPOBSA-Nmethyl 4-bromo-3-{(1S)-2-[(tert-butoxycarbonyl)amino]-1-methylethoxy}thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 67958910
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
2 records
Compound notes
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