Basic information
- Standard SMILES
COC(=O)C1CCCC2CC=CCC(NC(=O)OC(C)(C)C)C(=O)N21- InChIKey
LFLDXNQDKIHYPQ-UHFFFAOYSA-N- Molecular formula
- C18H28N2O5
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.199822
Names & identifiers
- Preferred name
- Methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1,2,3,4,7,8,11,11a-octahydropyrido[1,2-a]azocine-4-carboxylate
- IUPAC
- methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1,2,3,4,7,8,11,11a-octahydropyrido[1,2-a]azocine-4-carboxylate
Names & synonyms
SCHEMBL6088980
Database identifiers
- PubChem CID
- 69659967
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
Loading…