Basic information
- CAS
108734-90-3- Standard SMILES
CCOC(=O)C(C)n1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1=O- InChIKey
VWIYZCOPNSQUPZ-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N3O3
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.0646968
Names & identifiers
- Preferred name
- 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester
- IUPAC
- ethyl 2-[5,6-bis(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Names & synonyms
1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester108734-90-32-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-chlorophenyl)-as-triazineRefChem:215042SCHEMBL10733491DTXSID70910849Ethyl 2-[5,6-bis(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]propanoate
Database identifiers
- CAS
108734-90-3- PubChem CID
- 3065751
- DTXSID
DTXSID70910849
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 651
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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