Dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]manganese

C₆₀H₆₄Cl₁₄MnN₁₂O₈CAS 75747-77-21632.49 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₆₀H₆₄Cl₁₄MnN₁₂O₈
Molar mass: 1632.49 g/mol
Exact mass: 1624.9990 Da
logP: 12.42Crippen estimate
Polar surface area: 189.4 Å²
H-bond donors / acceptors: 0 / 12
Rotatable bonds: 24

Identifiers

CAS number

75747-77-2

SMILES

CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.[Cl-].[Cl-].[Mn+2]

InChIKey

OXOKTPUZOHPXSA-UHFFFAOYSA-L

InChI

InChI=1S/4C15H16Cl3N3O2.2ClH.Mn/c4*1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;;;/h4*3,5,8-10H,2,4,6-7H2,1H3;2*1H;/q;;;;;;+2/p-2

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Names and synonyms

4 names

Manganese, dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]-
1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-, manganese complex
Prochloraz manganese(II) complex (4:1)
Prochloraz manganese chloride complex

Work with Dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]manganese

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Prochloraz67747-09-589 % similar 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone46503-52-031 % similar Elubiol67914-69-630 % similar Ketoconazole65277-42-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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