2-{[5-(2,4-difluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Structure Info
- Chemspace ID
- CSSB00001318052 (In-Stock Building Blocks)
- MFCD
- MFCD04036411
- IUPAC Name
- 2-{[5-(2,4-difluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
- Mol formula
- C11H9F2N3O2S
- Mol weight
- 285 Da
- Catalog Number(s)
- BBV-45691405, CSC001318052, SC-64406, SEL12255822
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.91
- Heavy atoms count
- 19
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00001318052
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