Basic information
- Standard SMILES
CC(Nc1nccc([C@@H]2CC(=O)NN=C2c2cccc(C(F)(F)F)c2)n1)c1ccccc1- InChIKey
XJHNJSFFGSKGFA-IBYPIGCZSA-N- Molecular formula
- C23H20F3N5O
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.16199476
Names & identifiers
- Preferred name
- (s)-5-[2-(1-Phenylethylamino)pyrimidin-4-yl]-6-(3-trifluoromethylphenyl)-4,5-dihydro-2H-pyridazin-3-one
- IUPAC
- (4S)-4-[2-(1-phenylethylamino)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
(s)-5-[2-(1-Phenylethylamino)pyrimidin-4-yl]-6-(3-trifluoromethylphenyl)-4,5-dihydro-2H-pyridazin-3-oneSCHEMBL7215828
Database identifiers
- PubChem CID
- 70023896
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 679
Related reactions
2 records
Compound notes
Loading…