3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane
Basic information
- CAS
23865-45-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CN3CN(C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1- InChIKey
NVLQDFUOYSUKQZ-UHFFFAOYSA-N- Molecular formula
- C19H24N4O4S2
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.12389761
Names & identifiers
- Preferred name
- 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane
- IUPAC
- 3,7-bis-(4-methylphenyl)sulfonyl-1,3,5,7-tetrazabicyclo[3.3.1]nonane
Names & synonyms
23865-45-4ZINC193240011,3,5,7-Tetraazabicyclo[3.3.1]nonane,3,7-bis[(4-methylphenyl)sulfonyl]-3,7-bis[(4-methylphenyl)sulfonyl]-1,3,5,7-tetraazabicyclo[3.3.1]nonane3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonaneNSC143977ChemDiv3_003201Oprea1_149591Oprea1_388954DTXSID80301522HMS1482B11CCG-20513
Show more names
STK030466AKOS000588909NSC-143977IDI1_021111ZINC000019324001EU-0011874ST50265844AG-690/12870899
Database identifiers
- CAS
23865-45-4- PubChem CID
- 286143
- DTXSID
DTXSID80301522
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 698
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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