[3,4-Dibenzoyloxy-5-[6-(1-ethoxy-1-oxodecan-2-yl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
Basic information
- CAS
87733-50-4- Standard SMILES
CCCCCCCCC(Sc1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]c1=O)C(=O)OCC- InChIKey
NJOLIPTXPHALGD-UHFFFAOYSA-N- Molecular formula
- C41H45N3O11S
- Average molar mass
- 787.9 g/mol
- Monoisotopic mass
- 787.27748043
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5-[6-(1-ethoxy-1-oxodecan-2-yl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-[6-(1-ethoxy-1-oxodecan-2-yl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
Names & synonyms
NSC31962287733-50-4DTXSID20317642NSC-3196226-[(1-Ethoxy-1-oxodecan-2-yl)sulfanyl]-2-(2,3,5-tri-O-benzoylpentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
87733-50-4- PubChem CID
- 330561
- DTXSID
DTXSID20317642
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 23
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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