Ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate
Basic information
- CAS
63376-44-3- Standard SMILES
CCOC(=O)C1(n2[nH]c(=O)n(-c3ccccc3)c2=O)CC(C)OC1=O- InChIKey
GATBUXFGTOMGMX-UHFFFAOYSA-N- Molecular formula
- C16H17N3O6
- Average molar mass
- 347.32 g/mol
- Monoisotopic mass
- 347.11173527
Names & identifiers
- Preferred name
- Ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate
- IUPAC
- ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate
Names & synonyms
63376-44-3NSC294759ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxotetrahydrofuran-3-carboxylateethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylateSCHEMBL3876393DTXSID00315469NSC-2947593-(3,5-dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-5-methyl-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl esterethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxo-tetrahydrofuran-3-carboxylate
Database identifiers
- CAS
63376-44-3- PubChem CID
- 325666
- DTXSID
DTXSID00315469
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…