1,5-Dibenzyl-2,4-dimethyl-1,2,4,5-tetrazinane-3,6-dione
Basic information
- CAS
81930-22-5- Standard SMILES
CN1C(=O)N(C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1- InChIKey
QXZCDNXCMIGEJL-UHFFFAOYSA-N- Molecular formula
- C18H20N4O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15862589
Names & identifiers
- Preferred name
- 1,5-Dibenzyl-2,4-dimethyl-1,2,4,5-tetrazinane-3,6-dione
- IUPAC
- 1,5-dibenzyl-2,4-dimethyl-1,2,4,5-tetrazinane-3,6-dione
Names & synonyms
MLS00317121481930-22-51,5-dibenzyl-2,4-dimethyl-1,2,4,5-tetrazinane-3,6-dioneNSC365078SCHEMBL31288956DTXSID60320817NSC-365078SMR001875120
Database identifiers
- CAS
81930-22-5- PubChem CID
- 339248
- DTXSID
DTXSID60320817
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
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Compound notes
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