Cisconazole
Basic information
- CAS
104456-79-3- Standard SMILES
Fc1ccc2c(c1)[C@@H](OCc1c(F)cccc1F)[C@@H](Cn1ccnc1)S2- InChIKey
INJPEINGXBVKEB-RTBURBONSA-N- Molecular formula
- C19H15F3N2OS
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.08571877
Names & identifiers
- Preferred name
- Cisconazole
- IUPAC
- 1-[[(2R,3R)-3-[(2,6-difluorophenyl)methoxy]-5-fluoro-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazole
- English name
- Cisconazole
- Molecular formula
- C19H15F3N2OS
- Molecular weight
- 376.401
Names & synonyms
CISCONAZOLE104456-79-31-[[(2R,3R)-3-[(2,6-difluorophenyl)methoxy]-5-fluoro-2,3-dihydro-1-benzothiophen-2-yl]methyl]imidazoleK5Y0RVY12ASCH 35852Cisconazole (USAN/INN)Cisconazole [USAN:INN]UNII-K5Y0RVY12ASCH-35852CISCONAZOLE [INN]CISCONAZOLE [USAN]SCHEMBL394070
Show more names
DTXSID20146494NS00122277D03526Q27281990(+-)-cis-1-((3-((2,6-Difluorobenzyl)oxy)-5-fluoro-2,3-dihydrobenzo(b)thien-2-yl)methyl)imidazole(+/-)-CIS-1-((3-((2,6-DIFLUOROBENZYL)OXY)-5-FLUORO-2,3-DIHYDROBENZO(B)THIEN-2-YL)METHYL)IMIDAZOLE1-({(2R,3R)-3-[(2,6-Difluorophenyl)methoxy]-5-fluoro-2,3-dihydro-1-benzothiophen-2-yl}methyl)-1H-imidazole1H-Imidazole, 1-((3-((2,6-difluorophenyl)methoxy)-5-fluoro-2,3-dihydrobenzo(b)thien-2-yl)methyl)-, cis-(+-)-
Database identifiers
- CAS
104456-79-3- PubChem CID
- 59856
- DTXSID
DTXSID20146494- ChEMBL
CHEMBL2218899- UNII
- K5Y0RVY12A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- FDA UNII
- 5 Y0RVY12A · K5Y0RVY12A
Chemistry & industry
Applications
UsesAntifunga.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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