Basic information
- CAS
82058-41-1- Standard SMILES
CCNC(=O)N1C(c2ccccc2Cl)C2C(=O)C(C(c3ccccc3Cl)NC2c2ccccc2Cl)C1c1ccccc1Cl- InChIKey
RRNXXLZNBXADPO-UHFFFAOYSA-N- Molecular formula
- C34H29Cl4N3O2
- Average molar mass
- 653.4 g/mol
- Monoisotopic mass
- 651.101388
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-
- IUPAC
- 2,4,6,8-tetrakis(2-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Names & synonyms
ITA 474BRN 569651282058-41-1N-Ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-RefChem:272545DTXSID9010024482,4,6,8-Tetrakis(2-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid
Database identifiers
- CAS
82058-41-1- PubChem CID
- 54827
- DTXSID
DTXSID901002448- Nikkaji
- J68.379E
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 923
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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