[3,4-Dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
Basic information
- CAS
84608-13-9- Standard SMILES
CCOC(=O)CCCSc1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]c1=O- InChIKey
XJQZPFDTKYGALU-UHFFFAOYSA-N- Molecular formula
- C35H33N3O11S
- Average molar mass
- 703.7 g/mol
- Monoisotopic mass
- 703.18358005
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
Names & synonyms
NSC30687584608-13-9DTXSID00316794NSC-3068756-[(4-Ethoxy-4-oxobutyl)sulfanyl]-2-(2,3,5-tri-O-benzoylpentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
84608-13-9- PubChem CID
- 328447
- DTXSID
DTXSID00316794
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 18
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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