6-(2-Fluoro-3-pyridinyl)-2-(3-{(1s,5r)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-1,2,4-triazine-3,5(2h,4h)-dione dihydrochloride salt

HCID 86645645
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cl.Cl.O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nc1-c1cccnc1F
InChIKey
XMTMOXQRTAEQGS-JEKHSYBRSA-N
Molecular formula
C23H23Cl2F4N5O2
Average molar mass
548.4 g/mol

Names & identifiers

Preferred name
6-(2-Fluoro-3-pyridinyl)-2-(3-{(1s,5r)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-1,2,4-triazine-3,5(2h,4h)-dione dihydrochloride salt
IUPAC
6-(2-fluoro-3-pyridinyl)-2-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]-1,2,4-triazine-3,5-dione;dihydrochloride

Names & synonyms

6-(2-fluoro-3-pyridinyl)-2-(3-{(1s,5r)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-1,2,4-triazine-3,5(2h,4h)-dione dihydrochloride saltSCHEMBL2899237

Database identifiers

PubChem CID
86645645

Properties

Computed structural properties

Topological polar surface area
77.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
36

Related reactions

1 records
New reaction record

Compound notes

Loading…