Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(OC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1- InChIKey
SPMQWFZPJTZHKK-UHFFFAOYSA-N- Molecular formula
- C19H25ClN2O5
- Average molar mass
- 396.9 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[[(4-amino-5-chloro-2,3-dihydro-7-benzofuranyl)carbonyl]oxy]-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)oxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL8508373SPMQWFZPJTZHKK-UHFFFAOYSA-N1,1-dimethylethyl 4-[[(4-amino-5-chloro-2,3-dihydro-7-benzofuranyl)carbonyl]oxy]-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 54317841
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
Related reactions
4 records
Compound notes
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