3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-benzyl-9-oxo-2,4,6,8-tetraphenyl-
Basic information
- CAS
82058-35-3- Standard SMILES
O=C1C2C(c3ccccc3)NC(c3ccccc3)C1C(c1ccccc1)N(C(=S)NCc1ccccc1)C2c1ccccc1- InChIKey
VXVPBEDSAIYPGC-UHFFFAOYSA-N- Molecular formula
- C39H35N3OS
- Average molar mass
- 593.8 g/mol
- Monoisotopic mass
- 593.25008392
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-benzyl-9-oxo-2,4,6,8-tetraphenyl-
- IUPAC
- N-benzyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Names & synonyms
ITA 438BRN 5686001N-Benzyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-thiocarboxamide82058-35-33,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-benzyl-9-oxo-2,4,6,8-tetraphenyl-RefChem:272554DTXSID701002442N-Benzyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidothioic acid
Database identifiers
- CAS
82058-35-3- PubChem CID
- 3033693
- DTXSID
DTXSID701002442- Nikkaji
- J68.388D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 885
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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