5-Benzofurancarbamic acid, 4,7-dimethoxy-6-(2-piperidinoethoxy)-, isopropyl ester
Basic information
- CAS
75883-49-7- Standard SMILES
COc1c(NC(=O)OC(C)C)c(OCCN2CCCCC2)c(OC)c2occc12- InChIKey
BHAHUPXHZMKMOJ-UHFFFAOYSA-N- Molecular formula
- C21H30N2O6
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.21038668
Names & identifiers
- Preferred name
- 5-Benzofurancarbamic acid, 4,7-dimethoxy-6-(2-piperidinoethoxy)-, isopropyl ester
- IUPAC
- propan-2-yl N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]carbamate
Names & synonyms
BRN 51648195-Benzofurancarbamic acid, 4,7-dimethoxy-6-(2-piperidinoethoxy)-, isopropyl ester75883-49-7DTXSID00226788N-(4,7-Dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)carbamic acid isopropyl esterRefChem:301162DTXCID30149279CHEMBL44440Propan-2-yl {4,7-dimethoxy-6-[2-(piperidin-1-yl)ethoxy]-1-benzofuran-5-yl}carbamate
Database identifiers
- CAS
75883-49-7- PubChem CID
- 53413
- DTXSID
DTXSID00226788- ChEMBL
CHEMBL44440- Nikkaji
- J71.500J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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