Basic information
- CAS
386277-02-7- Standard SMILES
O=C(COC(=O)c1ccc(Br)o1)NC12CC3CC(CC(C3)C1)C2- InChIKey
LKIJSXYDXJGSJV-UHFFFAOYSA-N- Molecular formula
- C17H20BrNO4
- Average molar mass
- 382.2 g/mol
- Monoisotopic mass
- 381.05757
Names & identifiers
- Preferred name
- [2-(1-Adamantylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
- IUPAC
- [2-(1-adamantylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
Names & synonyms
[2-(1-adamantylamino)-2-oxoethyl] 5-bromofuran-2-carboxylateOprea1_282230MLS002249351CHEMBL1711068DTXSID901320284HMS1718B18HMS3062D12AKOS002472201386277-02-7SMR001316786SR-01000049871SR-01000049871-1
Show more names
Z183689982-[(Adamantan-1-yl)amino]-2-oxoethyl 5-bromofuran-2-carboxylate
Database identifiers
- CAS
386277-02-7- PubChem CID
- 3940596
- DTXSID
DTXSID901320284- ChEMBL
CHEMBL1711068
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
Solubility34.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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