Basic information
- Standard SMILES
C[C@@]1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1Cc1ccc2nc(C(F)(F)F)cc(Cl)c2c1.O=C(O)C(F)(F)F- InChIKey
DHBOVRFZOCQSMB-BOXHHOBZSA-N- Molecular formula
- C25H21ClF9N5O4
- Average molar mass
- 661.9 g/mol
- Monoisotopic mass
- 661.1138353
Names & identifiers
- Preferred name
- (2S)-1-{[4-Chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}-2-methyl-7-(morpholin-4-yl)-2-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one trifluoroacetate
- IUPAC
- (2S)-1-[[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one;2,2,2-trifluoroacetic acid
Names & synonyms
(2S)-1-{[4-Chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}-2-methyl-7-(morpholin-4-yl)-2-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one trifluoroacetateSCHEMBL9107243
Database identifiers
- PubChem CID
- 86666038
Properties
Computed structural properties
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 3
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
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