Basic information
- CAS
1237539-39-7- Standard SMILES
CCNC(=O)O[C@@H]1CC[C@@H]2[C@@H](C(=O)Nc3ccc(N(C)C)cc3)C[C@H]1N2Cc1ccccc1- InChIKey
HRBMESHSNKKVBJ-OLKYXYMISA-N- Molecular formula
- C26H34N4O3
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.26309096
Names & identifiers
- Preferred name
- CID 70702002
- IUPAC
- [(1R,2R,5R,6S)-8-benzyl-6-[[4-(dimethylamino)phenyl]carbamoyl]-8-azabicyclo[3.2.1]octan-2-yl] N-ethylcarbamate
Names & synonyms
1237539-39-7Alkaloid 1BDBM92492DTXSID901382379[(1R,2R,5R,6S)-8-Benzyl-6-[[4-(dimethylamino)phenyl]carbamoyl]-8-azabicyclo[3.2.1]octan-2-yl] N-ethylcarbamate
Database identifiers
- CAS
1237539-39-7- PubChem CID
- 70702002
- DTXSID
DTXSID901382379- Nikkaji
- J2.849.134D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 658
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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