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Basic information
- Standard SMILES
CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(N)cc2ccoc12- InChIKey
IHNSJOPFMGLNHY-UHFFFAOYSA-N- Molecular formula
- C19H27N3O3
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[(5-amino-1-benzofuran-7-yl)methyl]-3-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[(5-amino-1-benzofuran-7-yl)methyl]-3-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1061697IHNSJOPFMGLNHY-UHFFFAOYSA-Ntert-butyl 4-[(5-amino-1-benzofuran-7-yl)methyl]-3-methylpiperazine-1-carboxylate
Database identifiers
- PubChem CID
- 66892829
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
4 records
Compound notes
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