Neticonazole

C₁₇H₂₂N₂OSCAS 130726-68-0302.44 g/mol

Open in Covalent MOL file

Alkene Ether Sulfide

Properties

Molecular formula: C₁₇H₂₂N₂OS
Molar mass: 302.44 g/mol
Exact mass: 302.1453 Da
logP: 4.66Crippen estimate
Polar surface area: 27.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Identifiers

CAS number

130726-68-0

SMILES

CCCCCOc1ccccc1/C(=CSC)n1ccnc1

InChIKey

VWOIKFDZQQLJBJ-DTQAZKPQSA-N

InChI

InChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+

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Names and synonyms

3 names

1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-
1H-Imidazole, 1-[2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-, (E)-
1-[(1E)-2-(Methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-1H-imidazole

Work with Neticonazole

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

Croconazole hydrochloride77174-66-435 % similar 2-Propoxybenzoic acid2100-31-434 % similar 1-(2-Nitrophenoxy)octane37682-29-434 % similar Dipentyl phthalate131-18-033 % similar Otilonium bromide26095-59-033 % similar Di-N-octyl phthalate117-84-033 % similar Diheptyl phthalate3648-21-333 % similar Dihexyl phthalate84-75-333 % similar

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

Elsewhere

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