3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-
Basic information
- CAS
82058-42-2- Standard SMILES
CCNC(=S)N1C(c2ccccc2Cl)C2C(=O)C(C(c3ccccc3Cl)NC2c2ccccc2Cl)C1c1ccccc1Cl- InChIKey
AYGDAKNMZWDSLS-UHFFFAOYSA-N- Molecular formula
- C34H29Cl4N3OS
- Average molar mass
- 669.5 g/mol
- Monoisotopic mass
- 667.078545
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, 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-carbothioamide
Names & synonyms
ITA 475BRN 56965133,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-82058-42-2RefChem:272556DTXSID6010024492,4,6,8-Tetrakis(2-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboximidothioic acid
Database identifiers
- CAS
82058-42-2- PubChem CID
- 3033698
- DTXSID
DTXSID601002449- Nikkaji
- J68.390F
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 925
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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