Basic information
- Standard SMILES
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCN(C)C3=O)cn2)CN1C(=O)OC(C)(C)C- InChIKey
KQEKFEZNCSIZQH-RTWAWAEBSA-N- Molecular formula
- C28H34F6N6O3
- Average molar mass
- 616.6 g/mol
Names & identifiers
- Preferred name
- (2R,4S)-4-{(3,5-bis-trifluoromethyl-benzyl)-[5-(3-methyl-2-oxo-imidazolidin-1-yl)-pyrimidin-2-yl]-amino}-2-ethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-2-yl]amino]-2-ethylpyrrolidine-1-carboxylate
Names & synonyms
(2R,4S)-4-{(3,5-bis-trifluoromethyl-benzyl)-[5-(3-methyl-2-oxo-imidazolidin-1-yl)-pyrimidin-2-yl]-amino}-2-ethyl-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL1721745
Database identifiers
- PubChem CID
- 59614381
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 962
Related reactions
2 records
Compound notes
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