Ici 195739
Basic information
- CAS
103961-78-0- Standard SMILES
O[C@](Cn1cncn1)(Cn1cnc(/C=C\c2ccc(OCC(F)(F)C(F)F)cc2)n1)c1ccc(F)cc1F- InChIKey
FZEJTXCSLUORDW-BGLDCGIESA-N- Molecular formula
- C24H20F6N6O2
- Average molar mass
- 538.4 g/mol
- Monoisotopic mass
- 538.15519287
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ici 195739
- IUPAC
- (2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
- English name
- 2-(2,4-Difluorophenyl)-1-(3-(4-(2,2,3,3-tetrafluoropropoxy)styryl)-1,2,4-triazol-1-yl)-3-(1,2,4-triazol- 1-yl)propan-2-ol
- Molecular formula
- C24H20F6N6O2
- Molecular weight
- 538.45
Names & synonyms
Ici 195739DO870Ici 195,739103961-78-01H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-3-(2-(4-(2,2,3,3-tetrafluoropropoxy)phenyl)ethenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-D0870ICI-195739RefChem:147627(2R)-2-(2,4-difluorophenyl)-1-[3-[(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol(2R)-2-(2,4-Difluorophenyl)-1-[3-[2-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]Ethenyl]-1,2,4-Triazol-1-Yl]-3-(1,2,4-Triazol-1-ylPropan-2-OlD 0870FZEJTXCSLUORDW-BGLDCGIESA-N
Show more names
2-(2,4-Difluorophenyl)-1-(3-(4-(2,2,3,3-tetrafluoropropoxy)styryl)-1,2,4-triazol-1-yl)-3-(1,2,4-triazol- 1-yl)propan-2-olα-(2,4-Difluorophenyl)-3-[2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-α-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole-1-ethanol
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- Boiling point
- 723.004 · 723.004±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.43 · 1.430±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.443 · 11.443±0.29(predicted)
- FDA UNII
- 28072 AV · TIR28072AV
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Agents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA.
Applications
UsesICI-195739 is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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