4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol
Basic information
- CAS
1020398-65-5- Standard SMILES
OC1(c2ccc(Cl)cc2)CCCCCC1n1cncn1- InChIKey
WRGKWWRFSUGDPX-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1138399
Overview
sterol biosynthesis inhibitor; inhibits the conversion of lanosterol to desmosterol & dihydrolanosterol to cholesterol indicating that the site of action is the inhibition of the 14 alpha-methyl demethylase activity; RN given refers to the cis-(+-)-isomer; RN for cpd without isomeric designation is not avail 5/93
Names & identifiers
- Preferred name
- 4-chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol
- IUPAC
- 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol
Names & synonyms
4-Chlorophenyl-2-(1H-1,2,4-triazol-yl)cycloheptanol129586-32-9RefChem:98600Ssf-1091-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-olSCHEMBL69255DTXSID401024077cis-(+-)-1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanolXS1751101-(4-chlorophenyl)-2-(1h-1,2,4-triazol-1-yl)cycloheptanolCycloheptanol, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, cis-(+-)-1020398-65-5
Database identifiers
- CAS
1020398-65-5、129586-32-9- PubChem CID
- 86224
- DTXSID
DTXSID401024077
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
LogP3.02
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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