Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(Nc2nc(NCc3ccc(O)c(Cl)c3)nc(OCC(F)(F)F)n2)cc1- InChIKey
XDYHBNACJHBKSH-UHFFFAOYSA-N- Molecular formula
- C23H23ClF3N5O4
- Average molar mass
- 525.9 g/mol
- Monoisotopic mass
- 525.1390664
Names & identifiers
- Preferred name
- Tert-butyl 4-((4-((3-chloro-4-hydroxybenzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoate
- IUPAC
- tert-butyl 4-[[4-[(3-chloro-4-hydroxyphenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoate
Names & synonyms
tert-butyl 4-((4-((3-chloro-4-hydroxybenzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoateSCHEMBL15647886
Database identifiers
- PubChem CID
- 90101730
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 706
Related reactions
2 records
Compound notes
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