Basic information
- Standard SMILES
O=C([C@@H]1C[C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
RCSBRXKBXKQTCH-XCZPVHLTSA-N- Molecular formula
- C32H31F9N4O
- Average molar mass
- 658.6 g/mol
- Monoisotopic mass
- 658.23541508
Names & identifiers
- Preferred name
- [(2S,4S)-1-Benzyl-4-(3,5-bis-trifluoromethyl-benzylamino)-pyrrolidin-2-yl]-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone
- IUPAC
- [(2S,4S)-1-benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Names & synonyms
[(2S,4S)-1-Benzyl-4-(3,5-bis-trifluoromethyl-benzylamino)-pyrrolidin-2-yl]-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-methanoneSCHEMBL2818101
Database identifiers
- PubChem CID
- 86625302
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 970
Related reactions
1 records
Compound notes
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