(s)-2-(2-Benzylamino-5-trifluoromethyl-benzoylamino)-butyric acid tert-butyl ester
Basic information
- Standard SMILES
CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1)C(=O)OC(C)(C)C- InChIKey
LWDGLXIISBHYAX-SFHVURJKSA-N- Molecular formula
- C23H27F3N2O3
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.19737721
Names & identifiers
- Preferred name
- (s)-2-(2-Benzylamino-5-trifluoromethyl-benzoylamino)-butyric acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-2-[[2-(benzylamino)-5-(trifluoromethyl)benzoyl]amino]butanoate
Names & synonyms
(s)-2-(2-benzylamino-5-trifluoromethyl-benzoylamino)-butyric acid tert-butyl esterSCHEMBL79473
Database identifiers
- PubChem CID
- 57725377
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
Loading…