Basic information
- Standard SMILES
COC(=O)c1cccc(NCc2cc3ccccc3o2)c1C(=O)OC- InChIKey
UZHMTTFFYUTVQQ-UHFFFAOYSA-N- Molecular formula
- C19H17NO5
- Average molar mass
- 339.3 g/mol
Names & identifiers
- Preferred name
- 3-[(Benzofuran-2-ylmethyl)-amino]-phthalic acid dimethyl ester
- IUPAC
- dimethyl 3-(1-benzofuran-2-ylmethylamino)benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL2383240UZHMTTFFYUTVQQ-UHFFFAOYSA-N3-[(Benzofuran-2-ylmethyl)-amino]-phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 21040134
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
Related reactions
7 records
Compound notes
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