Basic information
- Standard SMILES
Fc1cccc(F)c1C1CC(c2csc(C3CCNNC3)n2)=NO1- InChIKey
YPZHJCZTJAIDSY-UHFFFAOYSA-N- Molecular formula
- C16H16F2N4OS
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-[5-(2,6-Difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]hexahydropyridazine
- IUPAC
- 3-[2-(diazinan-4-yl)-1,3-thiazol-4-yl]-5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazole
Names & synonyms
SCHEMBL2222244YPZHJCZTJAIDSY-UHFFFAOYSA-N4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]hexahydropyridazine
Database identifiers
- PubChem CID
- 67322437
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Related reactions
2 records
Compound notes
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