Basic information
- Standard SMILES
CC(=O)O.Clc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Cl- InChIKey
QRVYWENSFBBZQB-RDNZEXAOSA-N- Molecular formula
- C12H15Cl2N3O2
- Average molar mass
- 304.17 g/mol
Names & identifiers
- Preferred name
- (1S,5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane acetate
- IUPAC
- acetic acid;(1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
Names & synonyms
SCHEMBL2080038QRVYWENSFBBZQB-RDNZEXAOSA-N(1S, 5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane acetate(1S,55)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane acetate(1S,5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane acetate
Database identifiers
- PubChem CID
- 11601908
Properties
Computed structural properties
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Related reactions
2 records
Compound notes
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