Basic information
- Standard SMILES
FC(F)(F)c1ccc(-c2ccc(N3CCN4CCCC[C@@H]4C3)nn2)cc1- InChIKey
NFTBBVJBIRPGRP-MRXNPFEDSA-N- Molecular formula
- C19H21F3N4
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.17183117
Names & identifiers
- Preferred name
- (R)-2-[6-(4-Trifluoromethyl-phenyl)-pyridazin-3-yl]-octahydro-pyrido[1,2-a]pyrazine
- IUPAC
- (9aR)-2-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
Names & synonyms
(R)-2-[6-(4-Trifluoromethyl-phenyl)-pyridazin-3-yl]-octahydro-pyrido[1,2-a]pyrazineSCHEMBL5232455
Database identifiers
- PubChem CID
- 20799063
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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