Diethyl 3,4,5-triphenyl-1,2,4-triazolidine-1,2-dicarboxylate
Basic information
- CAS
13175-10-5- Standard SMILES
CCOC(=O)N1C(c2ccccc2)N(c2ccccc2)C(c2ccccc2)N1C(=O)OCC- InChIKey
DSGORSPFIDYVHA-UHFFFAOYSA-N- Molecular formula
- C26H27N3O4
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.20015635
Names & identifiers
- Preferred name
- Diethyl 3,4,5-triphenyl-1,2,4-triazolidine-1,2-dicarboxylate
- IUPAC
- diethyl 3,4,5-triphenyl-1,2,4-triazolidine-1,2-dicarboxylate
Names & synonyms
13175-10-5diethyl 3,4,5-triphenyl-1,2,4-triazolidine-1,2-dicarboxylateNSC103873DTXSID20295673NSC-103873
Database identifiers
- CAS
13175-10-5- PubChem CID
- 266396
- DTXSID
DTXSID20295673
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 595
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…