Basic information
- Standard SMILES
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(CCCO)cn2)CN1C(=O)OC(C)(C)C- InChIKey
CKIJZWUFHWFPPZ-YADHBBJMSA-N- Molecular formula
- C27H34F6N4O3
- Average molar mass
- 576.6 g/mol
Names & identifiers
- Preferred name
- (2R,4S)-4-{(3,5-bis-trifluoromethyl-benzyl)-[5-(3-hydroxy-propyl)-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-hydroxypropyl)pyrimidin-2-yl]amino]-2-ethylpyrrolidine-1-carboxylate
Names & synonyms
(2R,4S)-4-{(3,5-bis-trifluoromethyl-benzyl)-[5-(3-hydroxy-propyl)-pyrimidin-2-yl]-amino}-2-ethyl-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL1721736
Database identifiers
- PubChem CID
- 59614423
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 792
Related reactions
1 records
Compound notes
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