1-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-YL]methoxy}phenyl)piperazine
Basic information
- CAS
1621914-80-4- Standard SMILES
Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](COc3ccc(N4CCNCC4)cc3)O2)c(Cl)c1- InChIKey
LOUXSEJZCPKWAX-ZJSXRUAMSA-N- Molecular formula
- C24H26Cl2N4O3
- Average molar mass
- 489.4 g/mol
- Monoisotopic mass
- 488.1381961
Names & identifiers
- Preferred name
- 1-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-YL]methoxy}phenyl)piperazine
- IUPAC
- 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Names & synonyms
Deacetyl Levoketoconazole6GUK9RG9AZorb1940470SCHEMBL10567532SCHEMBL29564779DTXSID309872941-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE1621914-80-4Piperazine, 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-HY-129315CS-0104717(rac)-1-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
Show more names
1-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl) piperazine1-[4-({(2S,4R)-2-(2,4-Dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazine1-[4-({2-(2,4-Dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazine1-[4-[[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Database identifiers
- CAS
1621914-80-4、67914-61-8
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 621
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Compound notes
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