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Basic information
- Standard SMILES
COc1cccc(OC)c1C(=O)N1CC[C@@H](N(C)c2nc3ccc(Cl)cc3o2)C1- InChIKey
WZMYTEPVGBJYJX-CQSZACIVSA-N- Molecular formula
- C21H22ClN3O4
- Average molar mass
- 415.9 g/mol
Names & identifiers
- Preferred name
- {(R)-3-[(6-Chloro-benzooxazol-2-yl)-methyl-amino]-pyrrolidin-1-yl}-(2,6-dimethoxy-phenyl)-methanone
- IUPAC
- [(3R)-3-[(6-chloro-1,3-benzoxazol-2-yl)-methylamino]pyrrolidin-1-yl]-(2,6-dimethoxyphenyl)methanone
Names & synonyms
SCHEMBL3655547WZMYTEPVGBJYJX-CQSZACIVSA-N{(R)-3-[(6-Chloro-benzooxazol-2-yl)-methyl-amino]-pyrrolidin-1-yl}-(2,6-dimethoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 57748846
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
1 records
Compound notes
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