Structure Info
- Chemspace ID
- CSCS07287188427 (Synthesis)
- IUPAC Name
- 2-amino-5-({[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]amino}methyl)-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
- Mol formula
- C15H14ClF3N6O
- Mol weight
- 387 Da
- Catalog Number(s)
- PV-006728103970, Z9033464613
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.38
- Heavy atoms count
- 26
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.266
- Polar surface area (Å)
- 95
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSCS07287188427
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