Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1- InChIKey
GOKDSMAZNBQMTN-UHFFFAOYSA-N- Molecular formula
- C25H25ClF3N5O3
- Average molar mass
- 535.9 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-(1-(4-chlorophenyl)cyclopropylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate
- IUPAC
- tert-butyl 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoate
Names & synonyms
tert-butyl 4-(4-(1-(4-chlorophenyl)cyclopropylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoateSCHEMBL676449
Database identifiers
- PubChem CID
- 66766356
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 764
Related reactions
7 records
Compound notes
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