Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1C[C@@H]2CN(c3cccnc3)[C@@H]2C1- InChIKey
JUZMKGYDAATEET-NVXWUHKLSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
Names & identifiers
- Preferred name
- Benzyl (cis)-6-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
- IUPAC
- benzyl (1S,5S)-6-pyridin-3-yl-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
Names & synonyms
SCHEMBL651154JUZMKGYDAATEET-NVXWUHKLSA-Nbenzyl (1S,5S)-6-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylatebenzyl (cis)-6-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
Database identifiers
- PubChem CID
- 23635909
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
9 records
Compound notes
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