1-(2,4,6-Trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 3,4,5-trimethoxybenzoate
Basic information
- CAS
33837-12-6- Standard SMILES
COc1cc(C(=O)OC(C)CC2(c3ccccc3)C(=O)NC(=O)NC2=O)cc(OC)c1OC- InChIKey
RUUGPJVVSSGBLK-UHFFFAOYSA-N- Molecular formula
- C23H24N2O8
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.15326573
Names & identifiers
- Preferred name
- 1-(2,4,6-Trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 3,4,5-trimethoxybenzoate
- IUPAC
- 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 3,4,5-trimethoxybenzoate
Names & synonyms
33837-12-6NSC2807971-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 3,4,5-trimethoxybenzoateDTXSID80314132NSC-280797
Database identifiers
- CAS
33837-12-6- PubChem CID
- 322694
- DTXSID
DTXSID80314132
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 717
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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