Basic information
- Standard SMILES
Cc1ccc(C(F)(F)F)c(C(=O)N2CC[C@@H](Nc3cnc4ccc(C(F)(F)F)cc4n3)C2)c1- InChIKey
CMLNDAMNIZQHIB-CQSZACIVSA-N- Molecular formula
- C22H18F6N4O
- Average molar mass
- 468.4 g/mol
Names & identifiers
- Preferred name
- (5-Methyl-2-trifluoromethyl-phenyl)-[(R)-3-(7-trifluoromethyl-quinoxalin-2-ylamino)-pyrrolidin-1-yl]-methanone
- IUPAC
- [5-methyl-2-(trifluoromethyl)phenyl]-[(3R)-3-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]pyrrolidin-1-yl]methanone
Names & synonyms
(5-Methyl-2-trifluoromethyl-phenyl)-[(R)-3-(7-trifluoromethyl-quinoxalin-2-ylamino)-pyrrolidin-1-yl]-methanoneSCHEMBL3718375
Database identifiers
- PubChem CID
- 57748916
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 701
Related reactions
1 records
Compound notes
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