(1S,5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane fumarate
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Basic information
- Standard SMILES
Clc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Cl.O=C(O)/C=C/C(=O)O- InChIKey
MCCPRLGFMOWUKX-JZWNBYOFSA-N- Molecular formula
- C14H15Cl2N3O4
- Average molar mass
- 360.2 g/mol
Names & identifiers
- Preferred name
- (1S,5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane fumarate
- IUPAC
- (E)-but-2-enedioic acid;(1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
Names & synonyms
SCHEMBL3923498MCCPRLGFMOWUKX-JZWNBYOFSA-N(1S,5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane fumarate
Database identifiers
- PubChem CID
- 11639080
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Related reactions
1 records
Compound notes
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