Basic information
- Standard SMILES
COC(=O)c1ccc2c(Br)c(NC(=O)OC(C)(C)C)ccc2c1- InChIKey
NIKWJQMVKBKQLD-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO4
- Average molar mass
- 380.2 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate
- IUPAC
- methyl 5-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-2-carboxylate
Names & synonyms
SCHEMBL3555734NIKWJQMVKBKQLD-UHFFFAOYSA-Nmethyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate
Database identifiers
- PubChem CID
- 44549919
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
4 records
Compound notes
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