[1-(2,6-Dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
Basic information
- CAS
1005146-22-4- Standard SMILES
COc1ccc2oc(C(=O)OC(C)C(=O)N3C(C)CCCC3C)c(C)c2c1- InChIKey
KGMRGTIYOBTQRE-UHFFFAOYSA-N- Molecular formula
- C21H27NO5
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.18892296
Names & identifiers
- Preferred name
- [1-(2,6-Dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
- IUPAC
- [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
Names & synonyms
[1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylateMLS002248526CHEMBL1698093DTXSID101322579HMS1755K09HMS3084H09AKOS0334124861005146-22-4SMR001315991Z154062251-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
Database identifiers
- CAS
1005146-22-4- PubChem CID
- 3960285
- DTXSID
DTXSID101322579- ChEMBL
CHEMBL1698093
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Experimental & physicochemical properties
Solubility8.4 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…